Ceanothine B

Molecular Formula: C₂₉H₃₆N₄O₄

InChI: InChI=1/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26-/m0/s1/f/h30-32H

InChIKey: InChIKey=IDZLSIWTJUALRQ-ZXIXKXGVDU
SMILES: CC(C)C1C(C(=O)NC(C(=O)NC=CC2=CC=C(O1)C=C2)CC3=CC=CC=C3)NC(=O)C4CCCN4C

Names:
    Ceanothine B
    C10001
    (2S)-N-[(3S,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,13,15,17-tetraen-4-yl]-1-methyl-pyrrolidine-2-carboxamide
    19471-43-3

Registries:
    PubChem CID 5281585
    PubChem ID 12187