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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridin-3-ylethynyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-[2-(3-pyridyl)ethynyl]benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[2-(3-pyridinyl)ethynyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridin-3-ylethynyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[2-(3-pyridyl)ethynyl]benzoyl]amino]butyric acid Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C#CC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C#CC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O3S/c1-31-15-13-23(25(29)30)27-24(28)21-12-11-18(9-10-19-6-5-14-26-17-19)16-22(21)20-7-3-2-4-8-20/h2-8,11-12,14,16-17,23H,13,15H2,1H3,(H,27,28)(H,29,30)