(2S,4S,5R,6R)-5-acetamido-2-(4-azido-2-nitro-phenyl)sulfanyl-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-2-(4-azido-2-nitro-phenyl)sulfanyl-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-2-(4-azido-2-nitro-phenyl)sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[(4-azido-2-nitrophenyl)thio]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-(4-azido-2-nitrophenyl)sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(4-azido-2-nitro-phenyl)thio]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C17H21N5O10S MolecularWeight: 487.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)SC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[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)SC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])O

InChI

InChI=1S/C17H21N5O10S/c1-7(24)19-13-10(25)5-17(16(28)29,32-15(13)14(27)11(26)6-23)33-12-3-2-8(20-21-18)4-9(12)22(30)31/h2-4,10-11,13-15,23,25-27H,5-6H2,1H3,(H,19,24)(H,28,29)/t10-,11+,13+,14+,15+,17-/m0/s1