[3-benzylsulfanyl-2-[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]pent-4-enoylamino]propyl] pent-4-enoate

Molecular Formula: C32H40N2O5S


InChI: InChI=1/C32H40N2O5S/c1-3-5-16-31(37)39-21-28(23-40-22-24-12-7-6-8-13-24)33-32(38)26(11-4-2)18-30(36)34-19-27-15-10-9-14-25(27)17-29(34)20-35/h3-4,6-10,12-15,26,28-29,35H,1-2,5,11,16-23H2,(H,33,38)/f/h33H

InChIKey: InChIKey=UVLKGNVTEXVWQJ-NSJMMFDCCV
SMILES: C=CCCC(=O)OCC(CSCC1=CC=CC=C1)NC(=O)C(CC=C)CC(=O)N2CC3=CC=CC=C3CC2CO

Names:
    [3-benzylsulfanyl-2-[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]pent-4-enoylamino]propyl] pent-4-enoate

Registries:
    PubChem CID 4450337
    PubChem ID 6561111