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

Systemtic Name: 4-methylsulfanyl-2-[(2-phenyl-4-pyridin-3-ylsulfanyl-phenyl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(3-pyridinylthio)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-phenyl-4-pyridin-3-ylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(3-pyridylthio)benzoyl]amino]butyric acid Formula: C23H22N2O3S2 MolecularWeight: 438.56238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)SC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)SC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3S2/c1-29-13-11-21(23(27)28)25-22(26)19-10-9-17(30-18-8-5-12-24-15-18)14-20(19)16-6-3-2-4-7-16/h2-10,12,14-15,21H,11,13H2,1H3,(H,25,26)(H,27,28)