2-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[4-[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/c1-32-15-25-41(26-16-32)61(56,57)51-43(28-34-9-4-3-5-10-34)47(53)50-29-36-11-8-12-40(27-36)37-21-23-39(24-22-37)49-58-44(31-60-45-14-7-6-13-42(45)48(54)55)33(2)46(59-49)38-19-17-35(30-52)18-20-38/h3-27,33,43-44,46,49,51-52H,28-31H2,1-2H3,(H,50,53)(H,54,55)/f/h50,54H
InChIKey: InChIKey=ZNJRURCSVLOOOA-HLPAWFJCCJ
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)C(CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CSC7=CC=CC=C7C(=O)O
Names:
2-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-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 4142797
PubChem ID 6079448
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