2-[[2-[4-[(1-adamantylcarbamoylamino)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Molecular Formula:
C38H44N2O6S
InChI: InChI=1/C38H44N2O6S/c1-23-32(22-47-33-5-3-2-4-31(33)35(42)43)45-36(46-34(23)29-10-8-25(21-41)9-11-29)30-12-6-24(7-13-30)20-39-37(44)40-38-17-26-14-27(18-38)16-28(15-26)19-38/h2-13,23,26-28,32,34,36,41H,14-22H2,1H3,(H,42,43)(H2,39,40,44)/f/h39-40,42H
InChIKey: InChIKey=KEBMPFVYCUVHSS-VEBDDADUCE
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=CC=CC=C7C(=O)O
Names:
2-[[2-[4-[(1-adamantylcarbamoylamino)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 4110498
PubChem ID 6036079
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