3-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(2H-1,2,4-triazol-3-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoyl]propanoic acid

Molecular Formula: C32H34N4O6S


InChI: InChI=1/C32H34N4O6S/c1-20-27(18-43-32-34-19-35-36-32)41-31(42-30(20)24-7-5-21(17-37)6-8-24)25-11-9-23(10-12-25)26-4-2-3-22(15-26)16-33-28(38)13-14-29(39)40/h2-12,15,19-20,27,30-31,37H,13-14,16-18H2,1H3,(H,33,38)(H,39,40)(H,34,35,36)/f/h33,36,39H

InChIKey: InChIKey=XPTWXMRPWNUQSM-YSBRYAHUCZ
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)CCC(=O)O)CSC5=NC=NN5

Names:
    3-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(2H-1,2,4-triazol-3-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoyl]propanoic acid

Registries:
    PubChem CID 4124242
    PubChem ID 6054638