Enopeptin A

Molecular Formula: C47H57N7O11


InChI: InChI=1/C47H57N7O11/c1-29-25-36-47(64)65-28-34(45(62)53-24-16-19-35(53)46(63)52(4)31(3)42(59)48-30(2)44(61)54(36)27-29)50-43(60)33(26-32-17-12-11-13-18-32)49-39(57)20-14-9-7-5-6-8-10-15-21-40(58)51-41-37(55)22-23-38(41)56/h5-15,17-18,20-21,29-31,33-36,55H,16,19,22-28H2,1-4H3,(H,48,59)(H,49,57)(H,50,60)(H,51,58)/b6-5+,9-7+,10-8+,20-14+,21-15+/f/h48-51H

InChIKey: InChIKey=ODKIYTBYJKALOK-UAEJVHAADK
SMILES: CC1CC2C(=O)OCC(C(=O)N3CCCC3C(=O)N(C(C(=O)NC(C(=O)N2C1)C)C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C=CC=CC=CC=CC=CC(=O)NC5=C(CCC5=O)O

Names:
    AIDS-141452
    AIDS141452
    Enopeptin A
    NSC657143
    N~1~-(1-Benzyl-2-oxo-2-((2,6,9,10-tetramethyl-5,8,11,16,20-pentaoxohexadecahydro-1H,5H,16H-dipyrrolo[2,1-c:2,1-l][1,4,7,10,13]oxatetraazacyclohexadecin-17-yl)amino)ethyl)-N~12~-(2-hydroxy-5-oxo-1-cycl\topenten-1-yl)-2,4,6,8,10-dodecapentaenediamide

Registries:
    PubChem CID 5896956
    PubChem ID 237401