[(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [(2S)-1-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate Openeye Name: [(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [(1S)-2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CN(N=C1)C

Isomeric SMILES

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)OC(=O)C1=CN(N=C1)C

InChI

InChI=1S/C14H20N4O3/c1-9(2)14(4,8-15)17-12(19)10(3)21-13(20)11-6-16-18(5)7-11/h6-7,9-10H,1-5H3,(H,17,19)/t10-,14+/m0/s1