tert-butyl (6S,9S,12S,15S,18S,21R,26aS)-12-(4-aminobutyl)-18,21-bis({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})-9-{2-[(2-carbamoylethyl)carbamoyl]ethyl}-6-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaoxo-15-(propan-2-yl)-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

177528303

SMILES

CC(C)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)N2CCC[C@H]2C(=O)NCC(=O)N1)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)CCCCNC(=O)OC/C=C\CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C(C)C)CCCCN)C(=O)OC(C)(C)C)CCC(=O)NCCC(=O)N

Canonical SMILES

CC(=O)N[C@H]1[C@H](OC/C=C\COC(=O)NCCCC[C@@H]2NC(=O)[C@H](C(C)C)NC(=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]3CCCN3C(=O)[C@@H](CCCCNC(=O)OC/C=C\CO[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)NC2=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O