1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylic acid; ethyl 2-azanyl-3-methyl-pentanoate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylic acid; ethyl 2-azanyl-3-methyl-pentanoate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylic acid; ethyl 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid ethyl ester; 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid; ethyl 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid ethyl ester; 1-(2-keto-3,3-dimethyl-pentanoyl)proline Formula: C20H36N2O6 MolecularWeight: 400.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC)N.CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCC(C)C(C(=O)OCC)N.CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C12H19NO4.C8H17NO2/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17;1-4-6(3)7(9)8(10)11-5-2/h8H,4-7H2,1-3H3,(H,16,17);6-7H,4-5,9H2,1-3H3