Integerrenine

Molecular Formula: C₃₁H₄₂N₄O₄

InChI: InChI=1/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28-/m1/s1/f/h32-34H

InChIKey: InChIKey=KGRSGRNSVOPQEA-BCOQJQJODG
SMILES: CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)C=CNC(=O)C(NC1=O)CC(C)C)C3=CC=CC=C3)N(C)C

Names:
    C10005
    Integerrenine
    (2S,3R)-2-dimethylamino-3-methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,13,15,17-tetraen-4-yl]pentanamide
    18067-39-5

Registries:
    PubChem CID 5281588
    PubChem ID 12191