4-[[2-[4-[3-[(1-adamantylcarbamoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Molecular Formula: C44H48N2O6S


InChI: InChI=1/C44H48N2O6S/c1-27-39(26-53-38-15-13-35(14-16-38)41(48)49)51-42(52-40(27)34-7-5-28(25-47)6-8-34)36-11-9-33(10-12-36)37-4-2-3-29(20-37)24-45-43(50)46-44-21-30-17-31(22-44)19-32(18-30)23-44/h2-16,20,27,30-32,39-40,42,47H,17-19,21-26H2,1H3,(H,48,49)(H2,45,46,50)/f/h45-46,48H

InChIKey: InChIKey=XZUCPMRNPLUCSX-FEKXFPPFCT
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CSC8=CC=C(C=C8)C(=O)O

Names:
    4-[[2-[4-[3-[(1-adamantylcarbamoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Registries:
    PubChem CID 4142875
    PubChem ID 6079536