(2S)-2-[(4-carboxyphenyl)carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(4-carboxyphenyl)carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[(4-carboxybenzoyl)amino]pentanedioic acid CAS Name: (2S)-2-[[(4-carboxyphenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(4-carboxybenzoyl)amino]pentanedioic acid Traditional Name: (2S)-2-[(4-carboxybenzoyl)amino]glutaric acid Formula: C13H13NO7 MolecularWeight: 295.24482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO7/c15-10(16)6-5-9(13(20)21)14-11(17)7-1-3-8(4-2-7)12(18)19/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H,20,21)/t9-/m0/s1