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

Systemtic Name: 2-methyl-2-[[2-(2-methylphenyl)-4-(2-pyridin-3-ylethynyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-methyl-4-methylsulfanyl-2-[[2-(o-tolyl)-4-[2-(3-pyridyl)ethynyl]benzoyl]amino]butanoic acid CAS Name: 2-methyl-2-[[[2-(2-methylphenyl)-4-[2-(3-pyridinyl)ethynyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-methyl-2-[[2-(2-methylphenyl)-4-(2-pyridin-3-ylethynyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-methyl-4-(methylthio)-2-[[2-(o-tolyl)-4-[2-(3-pyridyl)ethynyl]benzoyl]amino]butyric acid Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C#CC3=CN=CC=C3)C(=O)NC(C)(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C#CC3=CN=CC=C3)C(=O)NC(C)(CCSC)C(=O)O

InChI

InChI=1S/C27H26N2O3S/c1-19-7-4-5-9-22(19)24-17-20(10-11-21-8-6-15-28-18-21)12-13-23(24)25(30)29-27(2,26(31)32)14-16-33-3/h4-9,12-13,15,17-18H,14,16H2,1-3H3,(H,29,30)(H,31,32)