[(2S,3R,4R,5S,6R)-3-acetamido-5-azido-2-methoxy-6-methyl-oxan-4-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6R)-3-acetamido-5-azido-2-methoxy-6-methyl-oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6R)-3-acetamido-5-azido-2-methoxy-6-methyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6R)-3-acetamido-5-azido-2-methoxy-6-methyl-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-3-acetamido-5-azido-2-methoxy-6-methyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6R)-3-acetamido-5-azido-2-methoxy-6-methyl-tetrahydropyran-4-yl] ester Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)NC(=O)C)OC(=O)C2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)NC(=O)C)OC(=O)C2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C16H20N4O5/c1-9-12(19-20-17)14(13(18-10(2)21)16(23-3)24-9)25-15(22)11-7-5-4-6-8-11/h4-9,12-14,16H,1-3H3,(H,18,21)/t9-,12+,13-,14+,16+/m1/s1