tert-butyl (6S,9S,12S,15S,18S,21S,26aS)-12-(4-aminobutyl)-18-{4-[({[(2Z)-4-{[(2R,3R,4R,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}but-2-en-1-yl]oxy}carbonyl)amino]butyl}-15-[(2S)-butan-2-yl]-9-{2-[(2-carbamoylethyl)carbamoyl]ethyl}-6,21-bis(2-methylpropyl)-1,4,7,10,13,16,19,22-octaoxo-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosane-11-carboxylate

化合物标识与属性

PubChem CID

102376662

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)CCCCN)C(=O)OC(C)(C)C)CCC(=O)NCCC(=O)N)CC(C)C)CC(C)C)CCCCNC(=O)OC/C=C\CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)N(C(=O)OC(C)(C)C)C(=O)[C@H](CCC(=O)NCCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)OC/C=C\CO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)NC1=O