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

Systemtic Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethyl]pyrazole-4-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)N1C=C(C=N1)C(=O)O

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H](C)N1C=C(C=N1)C(=O)O

InChI

InChI=1S/C11H17N3O3/c1-4-7(2)13-10(15)8(3)14-6-9(5-12-14)11(16)17/h5-8H,4H2,1-3H3,(H,13,15)(H,16,17)/t7-,8-/m0/s1