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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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