2-[[(4-methylphenyl)methyl-oxidanyl-phosphoryl]amino]pentanedioic acid

Systemtic Name: 2-[[(4-methylphenyl)methyl-oxidanyl-phosphoryl]amino]pentanedioic acid Openeye Name: 2-[[hydroxy(p-tolylmethyl)phosphoryl]amino]pentanedioic acid CAS Name: 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]pentanedioic acid IUPAC Name: 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]pentanedioic acid Traditional Name: 2-[[hydroxy-(4-methylbenzyl)phosphoryl]amino]glutaric acid Formula: C13H18NO6P MolecularWeight: 315.258881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CP(=O)(NC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CP(=O)(NC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C13H18NO6P/c1-9-2-4-10(5-3-9)8-21(19,20)14-11(13(17)18)6-7-12(15)16/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)