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

Systemtic Name: (phenylmethyl) (2S)-3-(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(2-methyl-3-oxo-1H-pyrazol-4-yl)propanoate CAS Name: (2S)-3-(2-methyl-3-oxo-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(2-methyl-3-oxo-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(5-keto-1-methyl-3-pyrazolin-4-yl)propionic acid benzyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=CN1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-25-20(26)18(13-23-25)12-19(21(27)29-14-16-8-4-2-5-9-16)24-22(28)30-15-17-10-6-3-7-11-17/h2-11,13,19,23H,12,14-15H2,1H3,(H,24,28)/t19-/m0/s1