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

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propanoic acid [(2S)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenylcarbamoylamino)propan-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-(phenylcarbamoylamino)ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)OC(C)C(=O)NC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)O[C@@H](C)C(=O)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N4O4/c1-12-11-13(2)22(21-12)10-9-16(23)26-14(3)17(24)20-18(25)19-15-7-5-4-6-8-15/h4-8,11,14H,9-10H2,1-3H3,(H2,19,20,24,25)/t14-/m0/s1