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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylcarbamoyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridylcarbamoyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[oxo-(2-pyridinylamino)methyl]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylcarbamoyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(2-pyridylcarbamoyl)benzoyl]amino]butyric acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O4S/c1-32-14-12-20(24(30)31)26-23(29)18-11-10-17(15-19(18)16-7-3-2-4-8-16)22(28)27-21-9-5-6-13-25-21/h2-11,13,15,20H,12,14H2,1H3,(H,26,29)(H,30,31)(H,25,27,28)