(3S)-3-[(2S)-2-[(2S)-2-{[(4R,7S,10S,13S,16R)-16-amino-7-benzyl-10-[(4-hydroxyphenyl)methyl]-6,9,12,15-tetraoxo-13-(propan-2-yl)-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-4-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid

化合物标识与属性

CAS

144602-02-8

PubChem CID

134812763

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)C4CSSC[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N4)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)C(C)C)N

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CSSC[C@H](N)C(=O)NC(C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC