ethyl (2R,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl (2R,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl (2R,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)propanoate CAS Name: (2R,3R)-3-hydroxy-3-(1-oxido-2-pyridin-1-iumyl)-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)propionic acid ethyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=[N+]1[O-])O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=CC=[N+]1[O-])O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O6/c1-2-25-17(22)15(16(21)14-10-6-7-11-20(14)24)19-18(23)26-12-13-8-4-3-5-9-13/h3-11,15-16,21H,2,12H2,1H3,(H,19,23)/t15-,16+/m1/s1