N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-N'-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]pentanediamide

Systemtic Name: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-N'-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]pentanediamide Openeye Name: N'-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]pentanediamide CAS Name: N'-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-yl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]pentanediamide IUPAC Name: N'-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanediamide Traditional Name: N'-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]glutaramide Formula: C17H23N7O9S MolecularWeight: 501.47102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C(S2)NC(=O)CCCC(=O)NC3C(C(C(OC3O)CO)O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C(S2)NC(=O)CCCC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O9S/c1-23-10(24(31)32)5-18-14(23)15-21-22-17(34-15)20-9(27)4-2-3-8(26)19-11-13(29)12(28)7(6-25)33-16(11)30/h5,7,11-13,16,25,28-30H,2-4,6H2,1H3,(H,19,26)(H,20,22,27)/t7-,11-,12-,13-,16-/m1/s1