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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3)(C(=O)O)N.Cl

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3)(C(=O)O)N.Cl

InChI

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