(1E)-1-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-N-(3-morpholin-4-yl-1,2,3-oxadiazol-3-ium-5-yl)methanimidate

Systemtic Name: (1E)-1-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-N-(3-morpholin-4-yl-1,2,3-oxadiazol-3-ium-5-yl)methanimidate Openeye Name: (1E)-1-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxy-N-(3-morpholinooxadiazol-3-ium-5-yl)methanimidate CAS Name: (1E)-1-[[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanyl]oxy]-N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]methanimidate IUPAC Name: (1E)-1-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate Traditional Name: (1E)-1-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxy-N-(3-morpholinooxadiazol-3-ium-5-yl)formimidate Formula: C18H27N5O12 MolecularWeight: 505.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC(=NC2=C[N+](=NO2)N3CCOCC3)[O-])O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O/C(=N/C2=C[N+](=NO2)N3CCOCC3)/[O-])O

InChI

InChI=1S/C18H27N5O12/c1-9(25)19-13-10(26)6-18(16(29)30,33-15(13)14(28)11(27)8-24)34-17(31)20-12-7-23(21-35-12)22-2-4-32-5-3-22/h7,10-11,13-15,24,26-28H,2-6,8H2,1H3,(H2-,19,20,21,25,29,30,31)/t10-,11+,13+,14+,15+,18+/m0/s1