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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-4-(pyridin-3-ylsulfanylsulfinylamino)butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-4-(3-pyridylsulfanylsulfinylamino)butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-4-[(3-pyridinylthio)sulfinylamino]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-4-(pyridin-3-ylsulfanylsulfinylamino)butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-(2-phenylbenzoyl)-4-[(3-pyridylthio)sulfinylamino]butyric acid Formula: C23H23N3O4S3 MolecularWeight: 501.64142

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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)NS(=O)SC3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S3/c1-31-20(26-33(30)32-17-10-7-13-25-15-17)14-23(24,22(28)29)21(27)19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-13,15,20,26H,14,24H2,1H3,(H,28,29)