2-azanyl-1-(4-oxidanylidenebutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid; methyl 2-azanyl-3-methyl-pentanoate

Systemtic Name: 2-azanyl-1-(4-oxidanylidenebutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid; methyl 2-azanyl-3-methyl-pentanoate Openeye Name: 2-amino-1-(4-oxobutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid; methyl 2-amino-3-methyl-pentanoate CAS Name: 2-amino-1-(1,4-dioxobutyl)-1-(3-phenylpropyl)-2-pyrrolidin-1-iumcarboxylic acid; 2-amino-3-methylpentanoic acid methyl ester IUPAC Name: 2-amino-1-(4-oxobutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid; methyl 2-amino-3-methylpentanoate Traditional Name: 2-amino-1-(4-ketobutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid; 2-amino-3-methyl-valeric acid methyl ester Formula: C25H40N3O6+ MolecularWeight: 478.6016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N.C1CC([N+](C1)(CCCC2=CC=CC=C2)C(=O)CCC=O)(C(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)OC)N.C1CC([N+](C1)(CCCC2=CC=CC=C2)C(=O)CCC=O)(C(=O)O)N

InChI

InChI=1S/C18H24N2O4.C7H15NO2/c19-18(17(23)24)11-6-13-20(18,16(22)10-5-14-21)12-4-9-15-7-2-1-3-8-15;1-4-5(2)6(8)7(9)10-3/h1-3,7-8,14H,4-6,9-13,19H2;5-6H,4,8H2,1-3H3/p+1