(phenylmethyl) 2-aminocarbonyl-1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 2-aminocarbonyl-1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-(2-amino-3-phenyl-propanoyl)-2-carbamoyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-2-carbamoyl-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-amino-3-phenylpropanoyl)-2-carbamoylpyrrolidin-1-ium-1-carboxylate Traditional Name: 2-carbamoyl-1-phenylalanyl-pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C(CC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H25N3O4/c23-18(14-16-8-3-1-4-9-16)21(27)25(13-7-12-19(25)20(24)26)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,23H2,(H-,24,26)/p+1