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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-2-25-17(22)16(21)15(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+/m0/s1