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

Systemtic Name: (2S)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-4-methyl-valeric acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/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)/t14-/m0/s1