[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propanoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propionic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)OC(C)C(=O)NC(=O)NC)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)O[C@@H](C)C(=O)NC(=O)NC)C

InChI

InChI=1S/C13H20N4O4/c1-8-7-9(2)17(16-8)6-5-11(18)21-10(3)12(19)15-13(20)14-4/h7,10H,5-6H2,1-4H3,(H2,14,15,19,20)/t10-/m0/s1