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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)SC3=CN=CC=C3

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)SC3=CN=CC=C3

InChI

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