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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-4-(pyridin-3-ylcarbonylamino)butanoic acid hydrochloride Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-4-(pyridine-3-carbonylamino)butanoic acid hydrochloride CAS Name: 2-amino-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-4-[[oxo(3-pyridinyl)methyl]amino]butanoic acid hydrochloride IUPAC Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-4-(pyridine-3-carbonylamino)butanoic acid hydrochloride Traditional Name: 2-amino-4-(methylthio)-4-nicotinamido-2-(2-phenylbenzoyl)butyric acid hydrochloride Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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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)NC(=O)C3=CN=CC=C3.Cl

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NC(=O)C3=CN=CC=C3.Cl

InChI

InChI=1S/C24H23N3O4S.ClH/c1-32-20(27-22(29)17-10-7-13-26-15-17)14-24(25,23(30)31)21(28)19-12-6-5-11-18(19)16-8-3-2-4-9-16;/h2-13,15,20H,14,25H2,1H3,(H,27,29)(H,30,31);1H