2-[[4-(aminomethyl)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(aminomethyl)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(aminomethyl)benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(aminomethyl)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(aminomethyl)benzoyl]amino]glutaric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H16N2O5/c14-7-8-1-3-9(4-2-8)12(18)15-10(13(19)20)5-6-11(16)17/h1-4,10H,5-7,14H2,(H,15,18)(H,16,17)(H,19,20)