5-acetamido-4-oxidanyl-2-(4-oxidanylidenepentanoyloxy)-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-4-oxidanyl-2-(4-oxidanylidenepentanoyloxy)-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-4-hydroxy-2-(4-oxopentanoyloxy)-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-2-(1,4-dioxopentoxy)-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-4-hydroxy-2-(4-oxopentanoyloxy)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-acetamido-4-hydroxy-2-(4-ketopentanoyloxy)-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C16H25NO11 MolecularWeight: 407.3698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)C(=O)O

Isomeric SMILES

CC(=O)CCC(=O)OC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)C(=O)O

InChI

InChI=1S/C16H25NO11/c1-7(19)3-4-11(23)27-16(15(25)26)5-9(21)12(17-8(2)20)14(28-16)13(24)10(22)6-18/h9-10,12-14,18,21-22,24H,3-6H2,1-2H3,(H,17,20)(H,25,26)