L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, bimol. cyclic (2 inverted exclamation marku7'),(7 inverted exclamation marku2')-bis(disulfide); (4R,7S,10S,13R,16S,19R,24R,27S,30S,33R,36S,39R)-13-((1H-indol-2-yl)methyl)-33-((1H-indol-3-yl)methyl)-19,39-bis((R)-2-amino-3-phenylpropanamido)-10,30-bis(4-aminobutyl)-16,36-dibenzyl-N4,N24-bis((2R,3R)-1,3-dihydroxybutan-2-yl)-7,27-bis((R)-1-hydroxyethyl)-6,9,12,15,18,26,29,32,35,38-decaoxo-1,2,21,22-tetrathia-5,8,11,14,17,25,28,31,34,37-decaazacyclotetracontane-4,24-dicarboxamide

化合物标识与属性

CAS

1926163-78-1

PubChem CID

177835724

SMILES

C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=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)N[C@H](C(=O)N1)CCCCN)CC2=CC3=CC=CC=C3N2)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)[C@@H](C)O)CCCCN)CC6=CNC7=CC=CC=C76)CC8=CC=CC=C8)NC(=O)[C@@H](CC9=CC=CC=C9)N)C(=O)N[C@H](CO)[C@@H](C)O)O

Canonical SMILES

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O