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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(NC(=O)C3=CN=CC=C3)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(NC(=O)C3=CN=CC=C3)SC)(C(=O)O)N

InChI

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