ethyl (3R,4R,5S,6R)-4-acetamido-5,6-bis(oxidanyl)-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S,6R)-4-acetamido-5,6-bis(oxidanyl)-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S,6R)-4-acetamido-3-(1-ethylpropoxy)-5,6-dihydroxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S,6R)-4-acetamido-5,6-dihydroxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S,6R)-4-acetamido-5,6-dihydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S,6R)-4-acetamido-3-(1-ethylpropoxy)-5,6-dihydroxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C16H27NO6 MolecularWeight: 329.38868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(C(C(C1NC(=O)C)O)O)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C([C@H]([C@H]([C@H]1NC(=O)C)O)O)C(=O)OCC

InChI

InChI=1S/C16H27NO6/c1-5-10(6-2)23-12-8-11(16(21)22-7-3)14(19)15(20)13(12)17-9(4)18/h8,10,12-15,19-20H,5-7H2,1-4H3,(H,17,18)/t12-,13+,14-,15+/m1/s1