[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl] pyrazine-2-carboxylate

Systemtic Name: [(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl] pyrazine-2-carboxylate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl] ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COC(=O)C1=NC=CN=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](COC(=O)C1=NC=CN=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O6/c1-24-15(21)14(11-25-16(22)13-9-18-7-8-19-13)20-17(23)26-10-12-5-3-2-4-6-12/h2-9,14H,10-11H2,1H3,(H,20,23)/t14-/m0/s1