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

Systemtic Name: 2-azanyl-2-[4-(1H-imidazol-5-ylcarbonylamino)-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid hydrochloride Openeye Name: 2-amino-2-[4-(1H-imidazole-5-carbonylamino)-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid hydrochloride CAS Name: 2-amino-2-[[4-[[1H-imidazol-5-yl(oxo)methyl]amino]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid hydrochloride IUPAC Name: 2-amino-2-[4-(1H-imidazole-5-carbonylamino)-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid hydrochloride Traditional Name: 2-amino-2-[4-(1H-imidazole-5-carbonylamino)-2-phenyl-benzoyl]-4-(methylthio)butyric acid hydrochloride Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CN2)C3=CC=CC=C3)(C(=O)O)N.Cl

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CN2)C3=CC=CC=C3)(C(=O)O)N.Cl

InChI

InChI=1S/C22H22N4O4S.ClH/c1-31-10-9-22(23,21(29)30)19(27)16-8-7-15(26-20(28)18-12-24-13-25-18)11-17(16)14-5-3-2-4-6-14;/h2-8,11-13H,9-10,23H2,1H3,(H,24,25)(H,26,28)(H,29,30);1H