(2S)-4-(4-methylphenyl)-2-[2-(3-methylpyrazol-1-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-methylphenyl)-2-[2-(3-methylpyrazol-1-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-[2-(3-methylpyrazol-1-yl)ethylamino]-4-oxo-4-(p-tolyl)butanoic acid CAS Name: (2S)-4-(4-methylphenyl)-2-[2-(3-methyl-1-pyrazolyl)ethylamino]-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-methylphenyl)-2-[2-(3-methylpyrazol-1-yl)ethylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-keto-2-[2-(3-methylpyrazol-1-yl)ethylamino]-4-(p-tolyl)butyric acid Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCCN2C=CC(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@H](C(=O)O)NCCN2C=CC(=N2)C

InChI

InChI=1S/C17H21N3O3/c1-12-3-5-14(6-4-12)16(21)11-15(17(22)23)18-8-10-20-9-7-13(2)19-20/h3-7,9,15,18H,8,10-11H2,1-2H3,(H,22,23)/t15-/m0/s1