4-[[2-[4-(1-adamantylcarbamoylamino)phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Molecular Formula:
C37H42N2O6S
InChI: InChI=1/C37H42N2O6S/c1-22-32(21-46-31-12-8-28(9-13-31)34(41)42)44-35(45-33(22)27-4-2-23(20-40)3-5-27)29-6-10-30(11-7-29)38-36(43)39-37-17-24-14-25(18-37)16-26(15-24)19-37/h2-13,22,24-26,32-33,35,40H,14-21H2,1H3,(H,41,42)(H2,38,39,43)/f/h38-39,41H
InChIKey: InChIKey=UCGUNPMGQMYOHX-NSFAQDJFCK
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=CC=C(C=C7)C(=O)O
Names:
4-[[2-[4-(1-adamantylcarbamoylamino)phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 4115367
PubChem ID 6042688
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