(phenylmethyl) (2S)-3-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(3-oxo-1,2-dihydropyrazol-4-yl)propanoate CAS Name: (2S)-3-(3-oxo-1,2-dihydropyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(3-oxo-1,2-dihydropyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-keto-3-pyrazolin-4-yl)propionic acid benzyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNNC2=O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CNNC2=O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c25-19-17(12-22-24-19)11-18(20(26)28-13-15-7-3-1-4-8-15)23-21(27)29-14-16-9-5-2-6-10-16/h1-10,12,18H,11,13-14H2,(H,23,27)(H2,22,24,25)/t18-/m0/s1