4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfonylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfonylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylsulfonylmethyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(3-pyridinylsulfonylmethyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfonylmethyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(3-pyridylsulfonylmethyl)benzoyl]amino]butyric acid Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CS(=O)(=O)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CS(=O)(=O)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5S2/c1-32-13-11-22(24(28)29)26-23(27)20-10-9-17(14-21(20)18-6-3-2-4-7-18)16-33(30,31)19-8-5-12-25-15-19/h2-10,12,14-15,22H,11,13,16H2,1H3,(H,26,27)(H,28,29)