methyl (2S)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl (2S)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-oxo-butanoate CAS Name: (2S)-3-oxo-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-3-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-keto-butyric acid methyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,14,17)/t11-/m0/s1