Hymenocardine

Molecular Formula: C37H50N6O6


InChI: InChI=1/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)/t22-,28-,30-,31-,32+/m0/s1/f/h39-42H

InChIKey: InChIKey=ATQXXRJEZULCTG-MOODUYRVDX
SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)NC1C(=O)NC(C(=O)NCC(=O)C2=CC=C(C=C2)OC1(C)C)CC3=CNC4=CC=CC=C43)N(C)C

Names:
    C10004
    Hymenocardine
    (2S,3S)-2-dimethylamino-N-[(1S)-1-[[(4S,7S)-7-(1H-indol-3-ylmethyl)-3,3-dimethyl-5,8,11-trioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-13,15,17-trien-4-yl]carbamoyl]-2-methyl-propyl]-3-methyl-pentanamide
    19771-56-3

Registries:
    PubChem CID 442568
    PubChem ID 12190