(2S)-6-amino-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-25,28-dibenzyl-31-(carbamoylmethyl)-16-[(1R)-1-hydroxyethyl]-7,10-bis(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-22-[(1H-indol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-37-[(2S)-pyrrolidine-2-amido]-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-4-yl]formamido}hexanoic acid

化合物标识与属性

PubChem CID

177599777

SMILES

C[C@H]([C@H]1C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)[C@@H]6CCCN6)C(=O)N[C@@H](CCCCN)C(=O)O)CO)CO)CC7=CC=C(C=C7)O)O

Canonical SMILES

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)C(CO)NC(=O)[C@H](CO)NC(=O)C(Cc2ccc(O)cc2)NC1=O