(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(1-phenylpyrazole-4-carbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(1-phenylpyrazole-4-carbonyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(1-phenylpyrazole-4-carbonyl)amino]butyrate Formula: C15H16N3O3- MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O3/c1-10(2)13(15(20)21)17-14(19)11-8-16-18(9-11)12-6-4-3-5-7-12/h3-10,13H,1-2H3,(H,17,19)(H,20,21)/p-1/t13-/m0/s1