1-(4-azanylbutylcarbamoyl)-1-(2-carboxy-4-phenyl-butyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(4-azanylbutylcarbamoyl)-1-(2-carboxy-4-phenyl-butyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(4-aminobutylcarbamoyl)-1-(2-carboxy-4-phenyl-butyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[(4-aminobutylamino)-oxomethyl]-1-(2-carboxy-4-phenylbutyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(4-aminobutylcarbamoyl)-1-(2-carboxy-4-phenylbutyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(4-aminobutylcarbamoyl)-1-(2-carboxy-4-phenyl-butyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C21H32N3O5+ MolecularWeight: 406.49588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(CC(CCC2=CC=CC=C2)C(=O)O)C(=O)NCCCCN)C(=O)O

Isomeric SMILES

C1CC([N+](C1)(CC(CCC2=CC=CC=C2)C(=O)O)C(=O)NCCCCN)C(=O)O

InChI

InChI=1S/C21H31N3O5/c22-12-4-5-13-23-21(29)24(14-6-9-18(24)20(27)28)15-17(19(25)26)11-10-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-15,22H2,(H2-,23,25,26,27,28,29)/p+1