methyl 1-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]triazole-4-carboxylate CAS Name: 1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]triazole-4-carboxylate Traditional Name: 1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]triazole-4-carboxylic acid methyl ester Formula: C12H18N4O7 MolecularWeight: 330.29392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1N2C=C(N=N2)C(=O)OC)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N2C=C(N=N2)C(=O)OC)CO)O)O

InChI

InChI=1S/C12H18N4O7/c1-5(18)13-8-10(20)9(19)7(4-17)23-11(8)16-3-6(14-15-16)12(21)22-2/h3,7-11,17,19-20H,4H2,1-2H3,(H,13,18)/t7-,8-,9-,10-,11-/m1/s1