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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CN1)NC2=CC(=C(C=C2)C(=O)C(CCSC)(C(=O)O)N)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C1=CN=CN1)NC2=CC(=C(C=C2)C(=O)C(CCSC)(C(=O)O)N)C3=CC=CC=C3.Cl

InChI

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