2-azanyl-4-[1-(1H-imidazol-5-yl)ethylamino]-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-butanoic acid hydrochloride

Systemtic Name: 2-azanyl-4-[1-(1H-imidazol-5-yl)ethylamino]-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-butanoic acid hydrochloride Openeye Name: 2-amino-4-[1-(1H-imidazol-5-yl)ethylamino]-4-methylsulfanyl-2-(2-phenylbenzoyl)butanoic acid hydrochloride CAS Name: 2-amino-4-[1-(1H-imidazol-5-yl)ethylamino]-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]butanoic acid hydrochloride IUPAC Name: 2-amino-4-[1-(1H-imidazol-5-yl)ethylamino]-4-methylsulfanyl-2-(2-phenylbenzoyl)butanoic acid hydrochloride Traditional Name: 2-amino-4-[1-(1H-imidazol-5-yl)ethylamino]-4-(methylthio)-2-(2-phenylbenzoyl)butyric acid hydrochloride Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CN1)NC(CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N)SC.Cl

Isomeric SMILES

CC(C1=CN=CN1)NC(CC(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N)SC.Cl

InChI

InChI=1S/C23H26N4O3S.ClH/c1-15(19-13-25-14-26-19)27-20(31-2)12-23(24,22(29)30)21(28)18-11-7-6-10-17(18)16-8-4-3-5-9-16;/h3-11,13-15,20,27H,12,24H2,1-2H3,(H,25,26)(H,29,30);1H