4-acetamido-3-azanyl-5-[2,3-bis(oxidanyl)propoxy]cyclohexene-1-carboxylic acid

Systemtic Name: 4-acetamido-3-azanyl-5-[2,3-bis(oxidanyl)propoxy]cyclohexene-1-carboxylic acid Openeye Name: 4-acetamido-3-amino-5-(2,3-dihydroxypropoxy)cyclohexene-1-carboxylic acid CAS Name: 4-acetamido-3-amino-5-(2,3-dihydroxypropoxy)-1-cyclohexenecarboxylic acid IUPAC Name: 4-acetamido-3-amino-5-(2,3-dihydroxypropoxy)cyclohexene-1-carboxylic acid Traditional Name: 4-acetamido-3-amino-5-glyceryloxy-cyclohexene-1-carboxylic acid Formula: C12H20N2O6 MolecularWeight: 288.297

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1N)C(=O)O)OCC(CO)O

Isomeric SMILES

CC(=O)NC1C(CC(=CC1N)C(=O)O)OCC(CO)O

InChI

InChI=1S/C12H20N2O6/c1-6(16)14-11-9(13)2-7(12(18)19)3-10(11)20-5-8(17)4-15/h2,8-11,15,17H,3-5,13H2,1H3,(H,14,16)(H,18,19)