2-[[2-[4-[3-[(1-adamantylcarbamoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Molecular Formula:
C43H46N2O6S
InChI: InChI=1/C43H46N2O6S/c46-25-27-8-10-33(11-9-27)38-20-36(26-52-39-7-2-1-6-37(39)40(47)48)50-41(51-38)34-14-12-32(13-15-34)35-5-3-4-28(19-35)24-44-42(49)45-43-21-29-16-30(22-43)18-31(17-29)23-43/h1-15,19,29-31,36,38,41,46H,16-18,20-26H2,(H,47,48)(H2,44,45,49)/f/h44-45,47H
InChIKey: InChIKey=YGEZLIVRKUQBLI-NLRCAPKUCF
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=CC(=C4)C5=CC=C(C=C5)C6OC(CC(O6)C7=CC=C(C=C7)CO)CSC8=CC=CC=C8C(=O)O
Names:
2-[[2-[4-[3-[(1-adamantylcarbamoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 3565195
PubChem ID 4826976
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