4-[[2-[4-[2-[(6-acetamidohexanoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Molecular Formula: C40H44N2O7S


InChI: InChI=1/C40H44N2O7S/c1-27(44)41-22-6-2-3-9-38(45)42-24-33-7-4-5-8-36(33)29-14-16-32(17-15-29)40-48-34(26-50-35-20-18-31(19-21-35)39(46)47)23-37(49-40)30-12-10-28(25-43)11-13-30/h4-5,7-8,10-21,34,37,40,43H,2-3,6,9,22-26H2,1H3,(H,41,44)(H,42,45)(H,46,47)/f/h41-42,46H

InChIKey: InChIKey=JPWRMNWAPSDTJB-OGOFXXOQCD
SMILES: CC(=O)NCCCCCC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CSC5=CC=C(C=C5)C(=O)O

Names:
    4-[[2-[4-[2-[(6-acetamidohexanoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Registries:
    PubChem CID 3562485
    PubChem ID 4821853