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

Molecular Formula: C36H38N2O6S


InChI: InChI=1/C36H38N2O6S/c1-24-31(23-45-33-12-2-3-18-37-33)43-36(44-35(24)27-16-14-25(22-39)15-17-27)30-10-5-9-29(20-30)28-8-4-7-26(19-28)21-38-32(40)11-6-13-34(41)42/h2-5,7-10,12,14-20,24,31,35-36,39H,6,11,13,21-23H2,1H3,(H,38,40)(H,41,42)/f/h38,41H

InChIKey: InChIKey=CNJYHTMPKMTCQM-ZZPFTVCZCE
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)CCCC(=O)O)CSC5=CC=CC=N5

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

Registries:
    PubChem CID 4111058
    PubChem ID 6036783