[(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1R)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H17N3O5/c1-12(25-16(22)14-9-5-6-10-20(14)24)15(21)19-17(23)18-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,19,21,23)/t12-/m1/s1