(3R,4R,5R)-5-azanyl-4-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5R)-5-azanyl-4-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5R)-5-amino-3-(1-ethylpropoxy)-4-methylsulfonyloxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5R)-5-amino-4-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5R)-5-amino-4-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5R)-5-amino-3-(1-ethylpropoxy)-4-methylsulfonyloxy-cyclohexene-1-carboxylic acid Formula: C13H23NO6S MolecularWeight: 321.38982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1OS(=O)(=O)C)N)C(=O)O

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@H]([C@H]1OS(=O)(=O)C)N)C(=O)O

InChI

InChI=1S/C13H23NO6S/c1-4-9(5-2)19-11-7-8(13(15)16)6-10(14)12(11)20-21(3,17)18/h7,9-12H,4-6,14H2,1-3H3,(H,15,16)/t10-,11-,12-/m1/s1