O2-methyl O1-(phenylmethyl) 1-(2-azanylpropanoyl)pyrrolidin-1-ium-1,2-dicarboxylate

Systemtic Name: O2-methyl O1-(phenylmethyl) 1-(2-azanylpropanoyl)pyrrolidin-1-ium-1,2-dicarboxylate Openeye Name: O1-benzyl O2-methyl 1-(2-aminopropanoyl)pyrrolidin-1-ium-1,2-dicarboxylate CAS Name: 1-(2-amino-1-oxopropyl)pyrrolidin-1-ium-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-methyl 1-(2-aminopropanoyl)pyrrolidin-1-ium-1,2-dicarboxylate Traditional Name: 1-alanylpyrrolidin-1-ium-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N2O5/c1-12(18)15(20)19(10-6-9-14(19)16(21)23-2)17(22)24-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11,18H2,1-2H3/q+1