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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(pyridine-3-carbonylamino)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(pyridine-3-carbonylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-nicotinamido-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)NC(=O)C3=CN=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)NC(=O)C3=CN=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H25N3O4S/c1-16-6-3-4-8-19(16)21-14-18(27-23(29)17-7-5-12-26-15-17)9-10-20(21)24(30)28-22(25(31)32)11-13-33-2/h3-10,12,14-15,22H,11,13H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)