Adouetine X

Molecular Formula: C28H44N4O4


InChI: InChI=1/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22-,23-,24-,25-/m0/s1/f/h29-31H

InChIKey: InChIKey=OMVRKRVDDRUXPW-DLAUTVCNDY
SMILES: CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C)C(C)C

Names:
    Adouetine X
    C09993
    (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,13,15,17-tetraen-4-yl]-2-dimethylamino-4-methyl-pentanamide
    19542-37-1

Registries:
    PubChem CID 5281577
    PubChem ID 12179