(2S)-2-[(3-methylphenyl)methylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(3-methylphenyl)methylamino]pentanedioic acid Openeye Name: (2S)-2-(m-tolylmethylamino)pentanedioic acid CAS Name: (2S)-2-[(3-methylphenyl)methylamino]pentanedioic acid IUPAC Name: (2S)-2-[(3-methylphenyl)methylamino]pentanedioic acid Traditional Name: (2S)-2-[(3-methylbenzyl)amino]glutaric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-9-3-2-4-10(7-9)8-14-11(13(17)18)5-6-12(15)16/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,16)(H,17,18)/t11-/m0/s1