(phenylmethyl) 2-aminocarbonyl-1-(4-phenylbutanoyl)-1-pyrrolidin-2-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) 2-aminocarbonyl-1-(4-phenylbutanoyl)-1-pyrrolidin-2-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: benzyl 2-carbamoyl-1-(4-phenylbutanoyl)-1-(pyrrolidine-2-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 2-carbamoyl-1-(1-oxo-4-phenylbutyl)-1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-carbamoyl-1-(4-phenylbutanoyl)-1-(pyrrolidine-2-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 2-carbamoyl-1-(4-phenylbutanoyl)-1-prolyl-pyrrolidin-1-ium-2-carboxylic acid benzyl ester Formula: C28H34N3O5+ MolecularWeight: 492.58666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)[N+]2(CCCC2(C(=O)N)C(=O)OCC3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CC(NC1)C(=O)[N+]2(CCCC2(C(=O)N)C(=O)OCC3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O5/c29-26(34)28(27(35)36-20-22-12-5-2-6-13-22)17-9-19-31(28,25(33)23-15-8-18-30-23)24(32)16-7-14-21-10-3-1-4-11-21/h1-6,10-13,23,30H,7-9,14-20H2,(H-,29,34)/p+1