2-azanyl-4-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-butanoic acid hydrochloride

Systemtic Name: 2-azanyl-4-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-butanoic acid hydrochloride Openeye Name: 2-amino-4-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylbenzoyl)butanoic acid hydrochloride CAS Name: 2-amino-4-(1H-imidazol-5-ylmethylamino)-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]butanoic acid hydrochloride IUPAC Name: 2-amino-4-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylbenzoyl)butanoic acid hydrochloride Traditional Name: 2-amino-4-(1H-imidazol-5-ylmethylamino)-4-(methylthio)-2-(2-phenylbenzoyl)butyric acid hydrochloride Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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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)NCC3=CN=CN3.Cl

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NCC3=CN=CN3.Cl

InChI

InChI=1S/C22H24N4O3S.ClH/c1-30-19(25-13-16-12-24-14-26-16)11-22(23,21(28)29)20(27)18-10-6-5-9-17(18)15-7-3-2-4-8-15;/h2-10,12,14,19,25H,11,13,23H2,1H3,(H,24,26)(H,28,29);1H