1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethyl]pyrazole-3-carboxylate Formula: C11H16N3O3- MolecularWeight: 238.26304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)N1C=CC(=N1)C(=O)[O-]

Isomeric SMILES

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

InChI

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