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

Molecular Formula: C33H36N4O6S


InChI: InChI=1/C33H36N4O6S/c1-21-28(19-44-33-35-20-36-37-33)42-32(43-31(21)25-10-8-22(18-38)9-11-25)26-14-12-24(13-15-26)27-5-2-4-23(16-27)17-34-29(39)6-3-7-30(40)41/h2,4-5,8-16,20-21,28,31-32,38H,3,6-7,17-19H2,1H3,(H,34,39)(H,40,41)(H,35,36,37)/f/h34,37,40H

InChIKey: InChIKey=UOQZURRXQPCDQE-AULBUYMVCO
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)CCCC(=O)O)CSC5=NC=NN5

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

Registries:
    PubChem CID 4143333
    PubChem ID 6080112