[2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C18H18N2O6/c1-25-18(23)15(11-13-5-3-2-4-6-13)19-16(21)12-26-17(22)14-7-9-20(24)10-8-14/h2-10,15H,11-12H2,1H3,(H,19,21)/t15-/m0/s1