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

Systemtic Name: 5-azanyl-2-butanoyloxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-amino-2-butanoyloxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-amino-4-hydroxy-2-(1-oxobutoxy)-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-amino-2-butanoyloxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-amino-2-butyryloxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C13H23NO9 MolecularWeight: 337.32302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(CC(C(C(O1)C(C(CO)O)O)N)O)C(=O)O

Isomeric SMILES

CCCC(=O)OC1(CC(C(C(O1)C(C(CO)O)O)N)O)C(=O)O

InChI

InChI=1S/C13H23NO9/c1-2-3-8(18)22-13(12(20)21)4-6(16)9(14)11(23-13)10(19)7(17)5-15/h6-7,9-11,15-17,19H,2-5,14H2,1H3,(H,20,21)