4-[[6-[4-(hydroxymethyl)phenyl]-2-[4-[[(3-oxo-1-phenyl-butan-2-yl)carbamoylamino]methyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Molecular Formula:
C37H38N2O7S
InChI: InChI=1/C37H38N2O7S/c1-24(41)33(19-25-5-3-2-4-6-25)39-37(44)38-21-26-7-13-30(14-8-26)36-45-31(23-47-32-17-15-29(16-18-32)35(42)43)20-34(46-36)28-11-9-27(22-40)10-12-28/h2-18,31,33-34,36,40H,19-23H2,1H3,(H,42,43)(H2,38,39,44)/f/h38-39,42H
InChIKey: InChIKey=WWHASZVQOGLVHV-XPUMZYBACK
SMILES: CC(=O)C(CC1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CSC5=CC=C(C=C5)C(=O)O
Names:
4-[[6-[4-(hydroxymethyl)phenyl]-2-[4-[[(3-oxo-1-phenyl-butan-2-yl)carbamoylamino]methyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 4102733
PubChem ID 6025625
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