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

Systemtic Name: O2-methyl O1-(phenylmethyl) 1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1,2-dicarboxylate Openeye Name: O1-benzyl O2-methyl 1-(2-amino-3-phenyl-propanoyl)pyrrolidin-1-ium-1,2-dicarboxylate CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)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-phenylpropanoyl)pyrrolidin-1-ium-1,2-dicarboxylate Traditional Name: 1-phenylalanylpyrrolidin-1-ium-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[N+]1(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCC[N+]1(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27N2O5/c1-29-22(27)20-13-8-14-25(20,23(28)30-16-18-11-6-3-7-12-18)21(26)19(24)15-17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16,24H2,1H3/q+1