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Peptidomimetika

Organische Verbindungen, die kleine, proteinähnliche Ketten zur Nachahmung eines Peptids sind; Peptide sind kleine Ketten von Aminosäuren, die durch Peptidbindungen miteinander verbunden sind.
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1

Cyclosporin C, TRC

CAS: 59787-61-0 Summenformel: C62 H111 N11 O13 Molekulargewicht (g/mol): 1218.61 Synonym: Ciclosporin C,7-L-Threonine-cyclosporin A,Cyclosporin C,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-threonyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] IUPAC-Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-Hydroxyethyl]-33-[(E,1R,2R)-1-Hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritritcontane-2,5,8,11,14,17,20,23,26,29,32-Undecone SMILES: C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C

IUPAC-Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-Hydroxyethyl]-33-[(E,1R,2R)-1-Hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritritcontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
CAS 59787-61-0
Molekulargewicht (g/mol) 1218.61
SMILES C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C
Synonym Ciclosporin C,7-L-Threonine-cyclosporin A,Cyclosporin C,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-threonyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl]
Summenformel C62 H111 N11 O13
2

Caspase-1-Inhibitor II, TRC

CAS: 178603-78-6 Summenformel: C24H33ClN4O8 Molekulargewicht (g/mol): 540.99 Synonym: Ac-YVAD-CMK,N-Acetyl-L-tyrosyl-L-valyl-N-[(1S)-1-(carboxymethyl)-3-chloro-2-oxopropyl]-L-alaninamide IUPAC-Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-Chloro-4-oxopentansäure SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CCl

IUPAC-Name (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-Chloro-4-oxopentansäure
CAS 178603-78-6
Molekulargewicht (g/mol) 540.99
SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CCl
Synonym Ac-YVAD-CMK,N-Acetyl-L-tyrosyl-L-valyl-N-[(1S)-1-(carboxymethyl)-3-chloro-2-oxopropyl]-L-alaninamide
Summenformel C24H33ClN4O8
3

Iso-Cyclosporin A, TRC

CAS: 59865-16-6 Summenformel: C62 H111 N11 O12 Molekulargewicht (g/mol): 1202.61 Synonym: Isociclosporin A,(2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (11→1)-lactone,Isocyclosporin A,1-Oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane, cyclic peptide deriv.,[2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine sigma1-lactone IUPAC-Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-Ethyl-34-[(E,2R)-Hex-4-en-2-yl]-4,7,10,12,15,19,25,28-Octamethyl-33-(Methylamino)-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-Yl)-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotetraacontan-2,5,8,11,14,17,20,23,26,29,32-Undecone SMILES: CC[C@@H]1NC(=O)[C@@H](NC)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)[C@H](C)C\C=C\C

IUPAC-Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-Ethyl-34-[(E,2R)-Hex-4-en-2-yl]-4,7,10,12,15,19,25,28-Octamethyl-33-(Methylamino)-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-Yl)-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotetraacontan-2,5,8,11,14,17,20,23,26,29,32-Undecone
CAS 59865-16-6
Molekulargewicht (g/mol) 1202.61
SMILES CC[C@@H]1NC(=O)[C@@H](NC)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)[C@H](C)C\C=C\C
Synonym Isociclosporin A,(2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (11→1)-lactone,Isocyclosporin A,1-Oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane, cyclic peptide deriv.,[2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine sigma1-lactone
Summenformel C62 H111 N11 O12
4

Valinomycin, TRC

CAS: 2001-95-8 Summenformel: C54 H90 N6 O18 Molekulargewicht (g/mol): 1111.32 Synonym: 3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone,1Cyclo(D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α- IUPAC-Name: (3S,6S,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-Trimethyl-3,9,12,15,21,24,27,33,36-Nona(Propan-2-yl)-1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-Hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-Dodekon SMILES: CC(C)[C@H]1NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)C(NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C

IUPAC-Name (3S,6S,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-Trimethyl-3,9,12,15,21,24,27,33,36-Nona(Propan-2-yl)-1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-Hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-Dodekon
CAS 2001-95-8
Molekulargewicht (g/mol) 1111.32
SMILES CC(C)[C@H]1NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)C(NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
Synonym 3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone,1Cyclo(D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α-
Summenformel C54 H90 N6 O18
5

Enramycin A, TRC

CAS: 34438-27-2 Summenformel: C107H138Cl2N26O31 Molekulargewicht (g/mol): 2355.33 Synonym: 1-Oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontane, enduracidin A derivative,[1(Z,E),10(R),15(R)]-N-(10-Methyl-1-oxo-2,4-undecadienyl)-L-α-aspartyl-L-threonyl-D-2-(4-hydroxyphenyl)glycyl-D-ornithyl-D-allothreonyl-L-2-(4-hydroxyphenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-L-allothreonyl-N5-(aminocarbonyl)-L-ornithyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-D-alanyl-L-2-(4-hydroxyphenyl)glycyl-D-seryl-L-2-(3,5-dichloro-4-hydroxyphenyl)glycylglycyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-L-alanyl-D-alanyl-L-2-(4-hydroxyphenyl)glycine ψ1-lactone; SMILES: CC(C)CCCC\C=C\C=C/C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]3CN=C(N)N3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c4ccc(O)cc4)[C@@H](C)O)c5ccc(O)cc5)c6ccc(O)cc6)[C@H](C)O)c7ccc(O)cc7)c8cc(Cl)c(O)c(Cl)c8)c9ccc(O)cc9

CAS 34438-27-2
Molekulargewicht (g/mol) 2355.33
SMILES CC(C)CCCC\C=C\C=C/C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]3CN=C(N)N3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c4ccc(O)cc4)[C@@H](C)O)c5ccc(O)cc5)c6ccc(O)cc6)[C@H](C)O)c7ccc(O)cc7)c8cc(Cl)c(O)c(Cl)c8)c9ccc(O)cc9
Synonym 1-Oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontane, enduracidin A derivative,[1(Z,E),10(R),15(R)]-N-(10-Methyl-1-oxo-2,4-undecadienyl)-L-α-aspartyl-L-threonyl-D-2-(4-hydroxyphenyl)glycyl-D-ornithyl-D-allothreonyl-L-2-(4-hydroxyphenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-L-allothreonyl-N5-(aminocarbonyl)-L-ornithyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-D-alanyl-L-2-(4-hydroxyphenyl)glycyl-D-seryl-L-2-(3,5-dichloro-4-hydroxyphenyl)glycylglycyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-L-alanyl-D-alanyl-L-2-(4-hydroxyphenyl)glycine ψ1-lactone;
Summenformel C107H138Cl2N26O31
6

Fenofibrinsäure 1,1-Dimethyl-2-(1-Methylethoxy)-2-Oxoethylester, TRC

CAS: 217636-48-1 Summenformel: C24 H27 Cl O6 Molekulargewicht (g/mol): 446.92 Synonym: 1-Methylethyl 2-[[2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy]-2-methylpropanoate,Fenofibrate Imp. G (EP) IUPAC-Name: Propan-2-Yl 2-[2-[4-(4-Chlorobenzoyl)Phenoxy]-2-Methylpropanoyl]Oxy-2-Methylpropanoat SMILES: CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2

IUPAC-Name Propan-2-Yl 2-[2-[4-(4-Chlorobenzoyl)Phenoxy]-2-Methylpropanoyl]Oxy-2-Methylpropanoat
CAS 217636-48-1
Molekulargewicht (g/mol) 446.92
SMILES CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
Synonym 1-Methylethyl 2-[[2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy]-2-methylpropanoate,Fenofibrate Imp. G (EP)
Summenformel C24 H27 Cl O6
7

Valspodar, TRC

CAS: 121584-18-7 Summenformel: C63 H111 N11 O12 Molekulargewicht (g/mol): 1214.62 Synonym: 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine- IUPAC-Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-Nonamethyl-33-[(E,2R)-2-Methylhex-4-Enoyl]-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21,30-Tri(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone SMILES: C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C

IUPAC-Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-Nonamethyl-33-[(E,2R)-2-Methylhex-4-Enoyl]-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21,30-Tri(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
CAS 121584-18-7
Molekulargewicht (g/mol) 1214.62
SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
Synonym 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine-
Summenformel C63 H111 N11 O12
8

Cyclosporin H, TRC

CAS: 83602-39-5 Summenformel: C62 H111 N11 O12 Molekulargewicht (g/mol): 1202.61 Synonym: Ciclosporin H,5-(N-Methyl-D-valine)-cyclosporin A,Cyclosporin H,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-D-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl],Cyclosporine H,Sandoz 37-839 IUPAC-Name: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone SMILES: CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

IUPAC-Name (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
CAS 83602-39-5
Molekulargewicht (g/mol) 1202.61
SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Synonym Ciclosporin H,5-(N-Methyl-D-valine)-cyclosporin A,Cyclosporin H,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-D-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl],Cyclosporine H,Sandoz 37-839
Summenformel C62 H111 N11 O12
9

Monomethylauristatin F, TRC

CAS: 745017-94-1 Summenformel: C39H65N5O8 Molekulargewicht (g/mol): 731.96 Synonym: N-Methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-L-phenylalanine,MMAF,Monomethylauristatin Phenylalanine SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C

CAS 745017-94-1
Molekulargewicht (g/mol) 731.96
SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C
Synonym N-Methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-L-phenylalanine,MMAF,Monomethylauristatin Phenylalanine
Summenformel C39H65N5O8
10

L-Anserine, TRC

CAS: 584-85-0 Summenformel: C10 H16 N4 O3 Molekulargewicht (g/mol): 240.26 Synonym: β-Alanyl-3-methyl-L-histidine,Anserine (8CI),Histidine, N-β-alanyl-3-methyl-, L- (7CI),L-Histidine, N-β-alanyl-3-methyl-,β-Alanyl-3-methyl-L-histidine,1: PN: WO2009033771 PAGE: 100 claimed protein,L-Anserine,Marine Active IUPAC-Name: (2S)-2-(3-Aminopropanoylamino)-3-(3-Methylimidazol-4-yl)Propansäure SMILES: Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O

IUPAC-Name (2S)-2-(3-Aminopropanoylamino)-3-(3-Methylimidazol-4-yl)Propansäure
CAS 584-85-0
Molekulargewicht (g/mol) 240.26
SMILES Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O
Synonym β-Alanyl-3-methyl-L-histidine,Anserine (8CI),Histidine, N-β-alanyl-3-methyl-, L- (7CI),L-Histidine, N-β-alanyl-3-methyl-,β-Alanyl-3-methyl-L-histidine,1: PN: WO2009033771 PAGE: 100 claimed protein,L-Anserine,Marine Active
Summenformel C10 H16 N4 O3
11

Actinomycin D (Dactinomycin), TRC

CAS: 50-76-0 Summenformel: C62 H86 N12 O16 Molekulargewicht (g/mol): 1255.42 Synonym: Actinomycin D,3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo- (7CI),Actinomycin C1 (6CI),1H-Pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecine, cyclic peptide deriv.,3H-Phenoxazine, actinomycin D deriv.,AD,Actactinomycin A IV,Actinomycin 7,Actinomycin AIV,Actinomycin I1,Actinomycin IV,Actinomycin X1,Actinomycindioic D acid, dilactone,C 1,Chounghwamycin B,Cosmegen,Dactinomycin,Dactinomycin D,Dilactone actinomycin D acid,Dilactone actinomycindioic D acid,Lyovac cosmegen,Meractinomycin,NCI C04682,NSC 3053,Oncostatin K IUPAC-Name: 2-Amino-4,6-Dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-3,10-di(Propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]Nonadecan-6-yl]Phenoxazin-1,9-Dicarboxamid SMILES: CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O

IUPAC-Name 2-Amino-4,6-Dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-3,10-di(Propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]Nonadecan-6-yl]Phenoxazin-1,9-Dicarboxamid
CAS 50-76-0
Molekulargewicht (g/mol) 1255.42
SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O
Synonym Actinomycin D,3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo- (7CI),Actinomycin C1 (6CI),1H-Pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecine, cyclic peptide deriv.,3H-Phenoxazine, actinomycin D deriv.,AD,Actactinomycin A IV,Actinomycin 7,Actinomycin AIV,Actinomycin I1,Actinomycin IV,Actinomycin X1,Actinomycindioic D acid, dilactone,C 1,Chounghwamycin B,Cosmegen,Dactinomycin,Dactinomycin D,Dilactone actinomycin D acid,Dilactone actinomycindioic D acid,Lyovac cosmegen,Meractinomycin,NCI C04682,NSC 3053,Oncostatin K
Summenformel C62 H86 N12 O16
12

(8S,9R)-BMN 673, TRC

CAS: 1207456-01-6 Summenformel: C19H14F2N6O Molekulargewicht (g/mol): 380.35 Synonym: (8S,9R)-BMN 673,(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one SMILES: Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5

CAS 1207456-01-6
Molekulargewicht (g/mol) 380.35
SMILES Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5
Synonym (8S,9R)-BMN 673,(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one
Summenformel C19H14F2N6O
13

Cyclosporin B, TRC

CAS: 63775-95-1 Summenformel: C61 H109 N11 O12 Molekulargewicht (g/mol): 1188.58 Synonym: Ciclosporin B,7-L-Alanine-cyclosporin A,Cyclosporin B,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Antibiotic S 7481F2,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-alanyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] IUPAC-Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-1,4,7,10,12,15,19,25,28,30-Decamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone SMILES: C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](C)NC1=O)C(C)C

IUPAC-Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-1,4,7,10,12,15,19,25,28,30-Decamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
CAS 63775-95-1
Molekulargewicht (g/mol) 1188.58
SMILES C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](C)NC1=O)C(C)C
Synonym Ciclosporin B,7-L-Alanine-cyclosporin A,Cyclosporin B,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Antibiotic S 7481F2,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-alanyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl]
Summenformel C61 H109 N11 O12
14

N-Acetyl-L-Carnosin, TRC

CAS: 56353-15-2 Summenformel: C11 H16 N4 O4 Molekulargewicht (g/mol): 268.27 IUPAC-Name: (2S)-2-(3-Acetamidopropanoylamino)-3-(1H-Imidazol-4-yl)Propansäure SMILES: CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

IUPAC-Name (2S)-2-(3-Acetamidopropanoylamino)-3-(1H-Imidazol-4-yl)Propansäure
CAS 56353-15-2
Molekulargewicht (g/mol) 268.27
SMILES CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
Summenformel C11 H16 N4 O4
15

Romidepsin, TRC

CAS: 128517-07-7 Summenformel: C24 H36 N4 O6 S2 Molekulargewicht (g/mol): 540.7 Synonym: Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl], cyclic (3→5)-disulfide,L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, (4→1)-lactone, cyclic (1→2)-disulfide, [S-(E)]-,2-Oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricosane, cyclic peptide deriv.,Antibiotic FR 901228,Chromadax,FK 228,FR 901228,Istodax,NSC 630176,Romidepsin IUPAC-Name: (1S,4S,7Z,10S,16E,21R)-7-Ethyliden-4,21-di(Propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-en-3,6,9,19,22-penton SMILES: C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C

IUPAC-Name (1S,4S,7Z,10S,16E,21R)-7-Ethyliden-4,21-di(Propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-en-3,6,9,19,22-penton
CAS 128517-07-7
Molekulargewicht (g/mol) 540.7
SMILES C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C
Synonym Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl], cyclic (3→5)-disulfide,L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, (4→1)-lactone, cyclic (1→2)-disulfide, [S-(E)]-,2-Oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricosane, cyclic peptide deriv.,Antibiotic FR 901228,Chromadax,FK 228,FR 901228,Istodax,NSC 630176,Romidepsin
Summenformel C24 H36 N4 O6 S2