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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridine-3-carbonylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[oxo(3-pyridinyl)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridine-3-carbonylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(4-nicotinamido-2-phenyl-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)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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