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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

5,5-Diphenylhydantoin-3-Buttersäure, TRC

CAS: 56976-66-0 Summenformel: C19 H18 N2 O4 Molekulargewicht (g/mol): 338.36 IUPAC-Name: 4-(2,5-Dioxo-4,4-Diphenylimidazolidin-1-yl)Butansäure SMILES: OC(=O)CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3

IUPAC-Name 4-(2,5-Dioxo-4,4-Diphenylimidazolidin-1-yl)Butansäure
CAS 56976-66-0
Molekulargewicht (g/mol) 338.36
SMILES OC(=O)CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3
Summenformel C19 H18 N2 O4
2

MMAE, TRC

CAS: 474645-27-7 Summenformel: C39H67N5O7 Molekulargewicht (g/mol): 717.98 Synonym: N-Methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide,MMAE,Monomethylauristatin E,Monomethylauristatin Norephedrine IUPAC-Name: (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-Hydroxy-1-phenylpropan-2-yl]amino]-1-Methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-Methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamid SMILES: CC[C@@H]([C@H](N(C([C@@H](NC([C@@H](NC)C(C)C)=O)C(C)C)=O)C)[C@H](OC)CC(N1CCC[C@H]1[C@H](OC)[C@H](C(N[C@@H]([C@@H](O)C2=CC=CC=C2)C)=O)C)=O)C

IUPAC-Name (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-Hydroxy-1-phenylpropan-2-yl]amino]-1-Methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-Methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamid
CAS 474645-27-7
Molekulargewicht (g/mol) 717.98
SMILES CC[C@@H]([C@H](N(C([C@@H](NC([C@@H](NC)C(C)C)=O)C(C)C)=O)C)[C@H](OC)CC(N1CCC[C@H]1[C@H](OC)[C@H](C(N[C@@H]([C@@H](O)C2=CC=CC=C2)C)=O)C)=O)C
Synonym N-Methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide,MMAE,Monomethylauristatin E,Monomethylauristatin Norephedrine
Summenformel C39H67N5O7
3

Peforelin Trifluoressigsäuresalz (> 90%), TRC

Hochreine organische Moleküle und analytische Standards, strategisch weltweit geliefert, um Innovation und wirtschaftlichen Erfolg zu ermöglichen.

Chemischer Name oder Material Peforelin Trifluoroacetic Acid Salt
Empfohlene Lagerung +4 °C
SMILES O=C(O)C(F)(F)F.O=C([C@@H](NC([C@H](CC1=CN=CN1)NC([C@@H](NC([C@H](CC2=CNC3=CC=CC=C32)NC([C@H](CC4=CN=CN4)NC([C@H]5NC(CC5)=O)=O)=O)=O)CO)=O)=O)CC(O)=O)N[C@H](C(N[C@H](C(N6CCC[C@H]6C(NCC(N)=O)=O)=O)CCCCN)=O)CC7=CNC8=CC=CC=C87
Synonym 3-L-Tryptophan-5-L-histidine-6-L-aspartic Acid Luteinizing Hormone-releasing Factor I (Petromyzon Marinus) Trifluoroacetic Acid Salt,Luteinizing Hormone-releasing Factor III (Petromyzon Marinus) Trifluoroacetic Acid Salt,5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-histidyl-L-α-aspartyl-L-tryptophyl-L-lysyl-L-prolylglycinamide Trifluoroacetic Acid Salt,Lamprey GnRH III Trifluoroacetic Acid Salt,Lamprey LH-RH III Trifluoroacetic Acid Salt
InChI-Formel InChI=1S/C59H74N18O14.C2HF3O2/c60-16-6-5-12-40(59(91)77-17-7-13-47(77)58(90)66-27-48(61)79)70-52(84)41(18-31-23-64-37-10-3-1-8-35(31)37)72-56(88)45(22-50(81)82)75-55(87)44(21-34-26-63-30-68-34)74-57(89)46(28-78)76-53(85)42(19-32-24-65-38-11-4-2-9-36(32)38)71-54(86)43(20-33-25-62-29-67-33)73-51(83)39-14-15-49(80)69-39;3-2(4,5)1(6)7/h1-4,8-11,23-26,29-30,39-47,64-65,78H,5-7,12-22,27-28,60H2,(H2,61,79)(H,62,67)(H,63,68)(H,66,90)(H,69,80)(H,70,84)(H,71,86)(H,72,88)(H,73,83)(H,74,89)(H,75,87)(H,76,85)(H,81,82);(H,6,7)/t39-,40-,41-,42-,43-,44-,45-,46-,47-;/m0./s1
Summenformel C59H74N18O14 .C2HF3O2
4

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
5

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
6

(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
7

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
8

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
9

BPC 157, TRC

CAS: 137525-51-0 Summenformel: C62 H98 N16 O22 Molekulargewicht (g/mol): 1419.54 Synonym: BPC 157,Glycyl-L-α-glutamyl-L-prolyl-L-prolyl-L-prolylglycyl-L-lysyl-L-prolyl-L-alanyl-L-α-aspartyl-L-α-aspartyl-L-alanylglycyl-L-leucyl-L-valine; IUPAC-Name: (4S)-4-[(2-aminoacetyl)amino]-5-[(2S)-2-[(2S)-2-[(2S)-2-[[2-[[(1S)-5-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-(carboxymethyl)-2-[[(1S)-1-(carboxymethyl)-2-[[(1S)-2- 2-[[(1S))[(1S))[[(1S)) -1-[[(1S)-1-Carboxy-2-Methylpropyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Carbonyl]Pentyl]Amino]-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Carbonyl]Pyrrolidin-1-Carbonyl]Pyrrolidin-1-yl]-5-Oxo-Pentansäure SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)O

IUPAC-Name (4S)-4-[(2-aminoacetyl)amino]-5-[(2S)-2-[(2S)-2-[(2S)-2-[[2-[[(1S)-5-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-(carboxymethyl)-2-[[(1S)-1-(carboxymethyl)-2-[[(1S)-2- 2-[[(1S))[(1S))[[(1S)) -1-[[(1S)-1-Carboxy-2-Methylpropyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Carbonyl]Pentyl]Amino]-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Carbonyl]Pyrrolidin-1-Carbonyl]Pyrrolidin-1-yl]-5-Oxo-Pentansäure
CAS 137525-51-0
Molekulargewicht (g/mol) 1419.54
SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)O
Synonym BPC 157,Glycyl-L-α-glutamyl-L-prolyl-L-prolyl-L-prolylglycyl-L-lysyl-L-prolyl-L-alanyl-L-α-aspartyl-L-α-aspartyl-L-alanylglycyl-L-leucyl-L-valine;
Summenformel C62 H98 N16 O22
10

9-Norketo FK-506, TRC

CAS: 123719-19-7 Summenformel: C43H69NO11 Molekulargewicht (g/mol): 776.01 Synonym: [3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,25aR*]]- 3,4,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-Octadecahydro-5,19-dihydroxy-3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-15,19-epoxypyrido[2,1-c][1,4]oxaazacyclodocosine-1,7,20(22H)-trione SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC

CAS 123719-19-7
Molekulargewicht (g/mol) 776.01
SMILES C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC
Synonym [3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,25aR*]]- 3,4,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-Octadecahydro-5,19-dihydroxy-3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-15,19-epoxypyrido[2,1-c][1,4]oxaazacyclodocosine-1,7,20(22H)-trione
Summenformel C43H69NO11
11

Valifenalat, TRC

CAS: 283159-90-0 Summenformel: C19 H27 Cl N2 O5 Molekulargewicht (g/mol): 398.88 Synonym: β-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester,IR 5885,Valifenalate,Valiphenal IUPAC-Name: Methyl-3-(4-Chlorophenyl)-3-[[(2S)-3-Methyl-2-(Propan-2-Yloxycarbonylamino)Butanoyl]-Aminopropanoat SMILES: COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1

IUPAC-Name Methyl-3-(4-Chlorophenyl)-3-[[(2S)-3-Methyl-2-(Propan-2-Yloxycarbonylamino)Butanoyl]-Aminopropanoat
CAS 283159-90-0
Molekulargewicht (g/mol) 398.88
SMILES COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1
Synonym β-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester,IR 5885,Valifenalate,Valiphenal
Summenformel C19 H27 Cl N2 O5
12

Bleomycinsulfat (eine Mischung aus Bleomycinsulfatsalzen) >90 %, TRC

CAS: 9041-93-4 Summenformel: C55 H84 N17 O21 S3 . C55 H84 N20 O21 S2 . H O4 S . H2 O4 S Molekulargewicht (g/mol): 3036.21 Synonym: Bleomycin, sulfate (salt),Blenoxane,Bleomycin sulfate,Blexane IUPAC-Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,,3-Diamino-3-Oxopropyl]Amino]-3-Oxopropyl]-5-Methylpyrimidin-4-Carbonyl]Amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-(4-Carbamimidamodobutylcarbamoyl)-1,3-Thiazol-2-yl]-1,3-Thiazol-2-yl]Ethylamino]-3-Hydroxy-1-Oxobutan-2-yl]Amino]-3-Hydroxy-4-Methyl-5-Oxopentan-2-Yl]Amino]-1-(1H-Imidazol-5-yl)-3-Oxopropoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)oxan-3-yl]Oxy-3, 5-Dihydroxy-6-(Hydroxymethyl)oxan-4-yl] Carbamat; 3-[[2-[2-[2-[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]-3-oxopropyl]-5-methylpyrimidin-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-Carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]aminoethyl]-1,3-thiazol-4-yl]-1,3- Thiazol-4-Carbonyl]amino]Propylldimethylsulfanium; Wasserstoffsulfat; Schwefelsäure SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4cnc[nH]4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=N)N.C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c7nc(nc(N)c7C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]8O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]9O)c%10cnc[nH]%10)C(=O)NCCc%11nc(cs%11)c%12nc(cs%12)C(=O)NCCC[S+](C)C.OS(=O)(=O)O.OS(=O)(=O)[O-]

IUPAC-Name [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,,3-Diamino-3-Oxopropyl]Amino]-3-Oxopropyl]-5-Methylpyrimidin-4-Carbonyl]Amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-(4-Carbamimidamodobutylcarbamoyl)-1,3-Thiazol-2-yl]-1,3-Thiazol-2-yl]Ethylamino]-3-Hydroxy-1-Oxobutan-2-yl]Amino]-3-Hydroxy-4-Methyl-5-Oxopentan-2-Yl]Amino]-1-(1H-Imidazol-5-yl)-3-Oxopropoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)oxan-3-yl]Oxy-3, 5-Dihydroxy-6-(Hydroxymethyl)oxan-4-yl] Carbamat; 3-[[2-[2-[2-[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]-3-oxopropyl]-5-methylpyrimidin-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-Carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]aminoethyl]-1,3-thiazol-4-yl]-1,3- Thiazol-4-Carbonyl]amino]Propylldimethylsulfanium; Wasserstoffsulfat; Schwefelsäure
CAS 9041-93-4
Molekulargewicht (g/mol) 3036.21
SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4cnc[nH]4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=N)N.C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c7nc(nc(N)c7C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]8O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]9O)c%10cnc[nH]%10)C(=O)NCCc%11nc(cs%11)c%12nc(cs%12)C(=O)NCCC[S+](C)C.OS(=O)(=O)O.OS(=O)(=O)[O-]
Synonym Bleomycin, sulfate (salt),Blenoxane,Bleomycin sulfate,Blexane
Summenformel C55 H84 N17 O21 S3 . C55 H84 N20 O21 S2 . H O4 S . H2 O4 S
13

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
14

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
15

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