(3S)-3-[(2S)-6-amino-2-{[(2S)-1-[(2S)-1-[(4R,10S,13S,16R,19S,22S,25R)-13-(3-carbamimidamidopropyl)-22-(2-carboxyethyl)-16-[(3,4-dichlorophenyl)methyl]-25-acetamido-19-[(1H-imidazol-4-yl)methyl]-10-[(1H-indol-3-yl)methyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanoic acid

化合物标识与属性

PubChem CID

177514101

SMILES

CC(=O)NC1CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC1=O)CCC(=O)O)CC2=CNC=N2)CC3=CC(=C(C=C3)Cl)Cl)CCCNC(=N)N)CC4=CNC5=CC=CC=C54)C(=O)N6CCC[C@H]6C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N

Canonical SMILES

CC(=O)NC1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C(CCC(=O)O)NC1=O