<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-22 17:55:23 UTC</creation_date>
  <update_date>2026-09-22 17:55:56 UTC</update_date>
  <accession>FDB118629</accession>
  <name>2-[(2-Amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid</name>
  <description/>
  <synonyms>
    <synonym>2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid</synonym>
  </synonyms>
  <chemical_formula>C12H16N2O5</chemical_formula>
  <average_molecular_weight>268.27</average_molecular_weight>
  <monisotopic_moleculate_weight/>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CO)N)O</smiles>
  <inchi>InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)</inchi>
  <inchikey>MALNXHYEPCSPPU-UHFFFAOYSA-N</inchikey>
  <taxonomy>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>average_mass</kind>
    <value>268.27</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CO)N)O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C12H16N2O5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>MALNXHYEPCSPPU-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
