(2S)-2-[(2-carboxyphenyl)carbonylamino]pentanedioate

Systemtic Name: (2S)-2-[(2-carboxyphenyl)carbonylamino]pentanedioate Openeye Name: (2S)-2-[(2-carboxybenzoyl)amino]pentanedioate CAS Name: (2S)-2-[[(2-carboxyphenyl)-oxomethyl]amino]pentanedioate IUPAC Name: (2S)-2-[(2-carboxybenzoyl)amino]pentanedioate Traditional Name: (2S)-2-[(2-carboxybenzoyl)amino]glutarate Formula: C13H11NO7-2 MolecularWeight: 293.22894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=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)7-3-1-2-4-8(7)12(18)19/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H,20,21)/p-2/t9-/m0/s1