(2S)-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28S)-28-amino-22-(4-aminobutyl)-16-benzyl-7-[(2S)-butan-2-yl]-10,25-bis(carbamoylmethyl)-13-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosan-4-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

化合物标识与属性

PubChem CID

177507814

SMILES

CC[C@H](C)[C@H]1C(=O)NC(CSSC[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CO)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)CCCCN)CC(=O)N)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)C(Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)C(CC(N)=O)NC(=O)[C@H](N)CSSCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O