(phenylmethyl) (2S)-3-(1-ethanoyl-2-methyl-3-oxidanylidene-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(1-ethanoyl-2-methyl-3-oxidanylidene-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-3-(1-acetyl-2-methyl-3-oxo-pyrazol-4-yl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-(1-acetyl-2-methyl-3-oxo-4-pyrazolyl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(1-acetyl-2-methyl-3-oxopyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(1-acetyl-3-keto-2-methyl-3-pyrazolin-4-yl)-2-(benzyloxycarbonylamino)propionic acid benzyl ester Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C(=O)N1C)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=C(C(=O)N1C)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O6/c1-17(28)27-14-20(22(29)26(27)2)13-21(23(30)32-15-18-9-5-3-6-10-18)25-24(31)33-16-19-11-7-4-8-12-19/h3-12,14,21H,13,15-16H2,1-2H3,(H,25,31)/t21-/m0/s1