Bengamide A

Molecular Formula: C31H56N2O8


InChI: InChI=1/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24-,25?,27?,28?,29+/m0/s1/f/h32-33H

InChIKey: InChIKey=NKASPYGDXVCCTA-LRPBLUGHDK
SMILES: CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)NC1)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC

Names:
    Bengamide A
    NSC613012
    [(3S,6S)-7-oxo-6-[[(E,2R)-3,4,5-trihydroxy-2-methoxy-8-methyl-non-6-enoyl]amino]azepan-3-yl] tetradecanoate

Registries:
    PubChem CID 5386504
    PubChem ID 8141988