2-[[6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Molecular Formula:
C48H46N2O8S2
InChI: InChI=1/C48H46N2O8S2/c1-32-14-24-41(25-15-32)60(55,56)50-43(27-33-8-3-2-4-9-33)46(52)49-29-35-10-7-11-39(26-35)36-20-22-38(23-21-36)48-57-40(31-59-45-13-6-5-12-42(45)47(53)54)28-44(58-48)37-18-16-34(30-51)17-19-37/h2-26,40,43-44,48,50-51H,27-31H2,1H3,(H,49,52)(H,53,54)/f/h49,53H
InChIKey: InChIKey=NGGAFSJKBXNLNL-VVCOJILZCV
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)C4=CC=C(C=C4)C5OC(CC(O5)C6=CC=C(C=C6)CO)CSC7=CC=CC=C7C(=O)O
Names:
2-[[6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 4085572
PubChem ID 6002863
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