cyclohexyl 2-[(3S,6S,12S,15S,21S,24S,27S,30S,33S)-21-(4-{[(benzyloxy)carbonyl]amino}butyl)-3,24,27-tris[(benzyloxy)methyl]-30-methyl-12-{3-[N'-(4-methylbenzenesulfonyl)carbamimidamido]propyl}-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-6-yl]acetate

化合物标识与属性

PubChem CID

16144505

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)COCC4=CC=CC=C4)CC(=O)OC5CCCCC5)CCCNC(=N)NS(=O)(=O)C6=CC=C(C=C6)C)CCCCNC(=O)OCC7=CC=CC=C7)COCC8=CC=CC=C8)COCC9=CC=CC=C9

Canonical SMILES

Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCNC(=O)OCc3ccccc3)NC(=O)[C@H](COCc3ccccc3)NC(=O)[C@H](COCc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](COCc3ccccc3)NC(=O)[C@H](CC(=O)OC3CCCCC3)NC(=O)CNC2=O)cc1