1-[(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-4-carboxylic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)N2C=C(C=N2)C(=O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-10(12-6-4-3-5-7-12)17-14(19)11(2)18-9-13(8-16-18)15(20)21/h3-11H,1-2H3,(H,17,19)(H,20,21)/t10-,11-/m0/s1