(2S)-2-[(2-acetamidophenyl)carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[(2-acetamidophenyl)carbonylamino]butanedioic acid Openeye Name: (2S)-2-[(2-acetamidobenzoyl)amino]butanedioic acid CAS Name: (2S)-2-[[(2-acetamidophenyl)-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[(2-acetamidobenzoyl)amino]butanedioic acid Traditional Name: (2S)-2-[(2-acetamidobenzoyl)amino]succinic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O6/c1-7(16)14-9-5-3-2-4-8(9)12(19)15-10(13(20)21)6-11(17)18/h2-5,10H,6H2,1H3,(H,14,16)(H,15,19)(H,17,18)(H,20,21)/t10-/m0/s1