O2-methyl O1-(phenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-1-ium-1,2-dicarboxylate

Systemtic Name: O2-methyl O1-(phenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-1-ium-1,2-dicarboxylate Openeye Name: O1-benzyl O2-methyl 1-(2-amino-3-methyl-butanoyl)pyrrolidin-1-ium-1,2-dicarboxylate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)pyrrolidin-1-ium-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-methyl 1-(2-amino-3-methylbutanoyl)pyrrolidin-1-ium-1,2-dicarboxylate Traditional Name: 1-(2-amino-3-methyl-butanoyl)pyrrolidin-1-ium-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[N+]1(CCCC1C(=O)OC)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(C(=O)[N+]1(CCCC1C(=O)OC)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C19H27N2O5/c1-13(2)16(20)17(22)21(11-7-10-15(21)18(23)25-3)19(24)26-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,7,10-12,20H2,1-3H3/q+1