(2S)-5-amino-2-[[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34S,37S,40S,43R)-43-amino-13-(2-amino-2-oxo-ethyl)-28-(3-amino-3-oxo-propyl)-19-benzyl-22-(carboxymethyl)-10-[(1R)-1-hydroxyethyl]-40-[(4-hydroxyphenyl)methyl]-25-(1H-indol-3-ylmethyl)-31,34,37-trimethyl-7-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42-tridecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41-tridecazacyclotetratetracontane-4-carbonyl]amino]-5-oxo-pentanoic acid; 2-sulfanylethanol

化合物标识与属性

PubChem CID

16131838

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)CCSC)[C@@H](C)O)CC(=O)N)CC3=CC=CC=C3)CC(=O)O)CC4=CNC5=CC=CC=C54)CCC(=O)N)C.C(CS)O

Canonical SMILES

CSCC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC1=O.OCCS