4-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-[3-[[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Molecular Formula:
C49H48N2O8S2
InChI: InChI=1/C49H48N2O8S2/c1-32-14-24-43(25-15-32)61(56,57)51-44(27-34-8-4-3-5-9-34)47(53)50-29-36-10-6-11-39(26-36)40-12-7-13-41(28-40)49-58-45(31-60-42-22-20-38(21-23-42)48(54)55)33(2)46(59-49)37-18-16-35(30-52)17-19-37/h3-26,28,33,44-46,49,51-52H,27,29-31H2,1-2H3,(H,50,53)(H,54,55)/f/h50,54H
InChIKey: InChIKey=UVUHIVDRPMRZIE-HLPAWFJCCW
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)C(CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CSC7=CC=C(C=C7)C(=O)O
Names:
4-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-[3-[[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 3565081
PubChem ID 4826805
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