3-(2-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid hydrate

Systemtic Name: 3-(2-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid hydrate Openeye Name: 3-(5-hydroxy-2-methyl-5-oxo-pentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid hydrate CAS Name: 3-(5-hydroxy-2-methyl-1,5-dioxopentyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid hydrate IUPAC Name: 3-(5-hydroxy-2-methyl-5-oxopentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid hydrate Traditional Name: 3-(5-hydroxy-5-keto-2-methyl-pentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid hydrate Formula: C13H21NO6 MolecularWeight: 287.30894

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C(=O)N1C2CCC(C2)C1C(=O)O.O

Isomeric SMILES

CC(CCC(=O)O)C(=O)N1C2CCC(C2)C1C(=O)O.O

InChI

InChI=1S/C13H19NO5.H2O/c1-7(2-5-10(15)16)12(17)14-9-4-3-8(6-9)11(14)13(18)19;/h7-9,11H,2-6H2,1H3,(H,15,16)(H,18,19);1H2