2-(4-azanylbutanoyl)-6-(carboxymethylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid

Systemtic Name: 2-(4-azanylbutanoyl)-6-(carboxymethylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid Openeye Name: 2-(4-aminobutanoyl)-6-(carboxymethylcarbamoyl)isoindoline-5-carboxylic acid CAS Name: 2-(4-amino-1-oxobutyl)-6-[(carboxymethylamino)-oxomethyl]-1,3-dihydroisoindole-5-carboxylic acid IUPAC Name: 2-(4-aminobutanoyl)-6-(carboxymethylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid Traditional Name: 2-(4-aminobutanoyl)-6-(carboxymethylcarbamoyl)isoindoline-5-carboxylic acid Formula: C16H19N3O6 MolecularWeight: 349.33856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)CCCN)C=C(C(=C2)C(=O)NCC(=O)O)C(=O)O

Isomeric SMILES

C1C2=C(CN1C(=O)CCCN)C=C(C(=C2)C(=O)NCC(=O)O)C(=O)O

InChI

InChI=1S/C16H19N3O6/c17-3-1-2-13(20)19-7-9-4-11(15(23)18-6-14(21)22)12(16(24)25)5-10(9)8-19/h4-5H,1-3,6-8,17H2,(H,18,23)(H,21,22)(H,24,25)