2-azanyl-4-methylsulfanyl-2-(2-phenyl-4-pyridin-3-ylsulfanyl-phenyl)carbonyl-butanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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