(2S)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-methyl-pentanoic acid dihydrochloride

Systemtic Name: (2S)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-methyl-pentanoic acid dihydrochloride Openeye Name: (2S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-methyl-pentanoic acid dihydrochloride CAS Name: (2S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-4-methylpentanoic acid dihydrochloride IUPAC Name: (2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid dihydrochloride Traditional Name: (2S)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-4-methyl-valeric acid dihydrochloride Formula: C17H25Cl2N3O3 MolecularWeight: 390.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(CC(C)C)C(=O)O.Cl.Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N[C@@H](CC(C)C)C(=O)O.Cl.Cl

InChI

InChI=1S/C17H23N3O3.2ClH/c1-11(2)10-14(17(22)23)18-15-12(3)19(4)20(16(15)21)13-8-6-5-7-9-13;;/h5-9,11,14,18H,10H2,1-4H3,(H,22,23);2*1H/t14-;;/m0../s1