N-[(3S,6S,9R,14R,17S,20S,28aS)-6,20-Bis(4-aminobutyl)-17-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-1,4,7,15,18,21,24-heptaoxo-14-(L-phenylalanylamino)hexacosahydropyrrolo[2,1-m][1,2,5,8,11,14,17,20,23]dithiaheptaazacyclohexacosine-9-carbonyl]-L-tyrosine

化合物标识与属性

CAS

174490-49-4

PubChem CID

138394110

SMILES

C[C@H]([C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CC3=CC=CC=C3)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)CCCCN)CO)CCCCN)O

Canonical SMILES

C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O