1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C21H29N2O6+ MolecularWeight: 405.46476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)[N+]1(CCCC1C(=O)O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)[N+]1(CCCC1C(=O)O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H28N2O6/c1-4-21(2,3)17(24)18(25)23(12-8-11-16(23)20(28)29)22-15(19(26)27)13-14-9-6-5-7-10-14/h5-7,9-10,15-16,22H,4,8,11-13H2,1-3H3,(H-,26,27,28,29)/p+1