6-[[2-[4-[4-[(2-carboxyphenyl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoyl]hexanoic acid

Molecular Formula: C39H41NO8S


InChI: InChI=1/C39H41NO8S/c41-24-26-14-16-28(17-15-26)34-22-31(25-49-35-11-7-6-10-33(35)38(45)46)47-39(48-34)29-20-18-27(19-21-29)32-9-5-4-8-30(32)23-40-36(42)12-2-1-3-13-37(43)44/h4-11,14-21,31,34,39,41H,1-3,12-13,22-25H2,(H,40,42)(H,43,44)(H,45,46)/f/h40,43,45H

InChIKey: InChIKey=WRFPGJVQDGHEIX-MYZZSORXCD
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)CCCCCC(=O)O)CSC5=CC=CC=C5C(=O)O

Names:
    6-[[2-[4-[4-[(2-carboxyphenyl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoyl]hexanoic acid

Registries:
    PubChem CID 3569788
    PubChem ID 4835399