2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylcarbonylamino)phenyl]carbonyl-butanoic acid hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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