(3S)-3-methyl-5-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-3-methyl-5-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (3S)-3-methyl-5-oxo-5-[[1-(p-tolylmethyl)pyrazol-4-yl]amino]pentanoate CAS Name: (3S)-3-methyl-5-[[1-[(4-methylphenyl)methyl]-4-pyrazolyl]amino]-5-oxopentanoate IUPAC Name: (3S)-3-methyl-5-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-oxopentanoate Traditional Name: (3S)-5-keto-3-methyl-5-[[1-(4-methylbenzyl)pyrazol-4-yl]amino]valerate Formula: C17H20N3O3- MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)CC(C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)C[C@H](C)CC(=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-12-3-5-14(6-4-12)10-20-11-15(9-18-20)19-16(21)7-13(2)8-17(22)23/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,19,21)(H,22,23)/p-1/t13-/m0/s1