2-[[(3-aminophenyl)methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[(3-aminophenyl)methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[(3-aminophenyl)methyl-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[(3-aminophenyl)methyl-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[(3-aminophenyl)methyl-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[(3-aminobenzyl)-hydroxy-phosphoryl]methyl]glutaric acid Formula: C13H18NO6P MolecularWeight: 315.258881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CP(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)CP(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C13H18NO6P/c14-11-3-1-2-9(6-11)7-21(19,20)8-10(13(17)18)4-5-12(15)16/h1-3,6,10H,4-5,7-8,14H2,(H,15,16)(H,17,18)(H,19,20)