<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">317289</id>
  <title nil="true"/>
  <common-name>3-(4-hydroxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid</common-name>
  <description>3-(4-hydroxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid is a compound with the formula C19H20N2O6. It has an average molecular weight of 372.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3794429</pubchem-id>
  <chemical-formula>C19H20N2O6</chemical-formula>
  <weight>372.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-29T15:21:52Z</created-at>
  <updated-at type="dateTime">2026-08-29T15:21:52Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O</moldb-smiles>
  <moldb-formula>C19H20N2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C19H20N2O6/c22-15-8-6-13(7-9-15)10-16(18(24)25)21-17(23)11-20-19(26)27-12-14-4-2-1-3-5-14/h1-9,16,22H,10-12H2,(H,20,26)(H,21,23)(H,24,25)</moldb-inchi>
  <moldb-inchikey>YYPNBRMRXNXSDE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">372.1321364</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM313182</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-(4-hydroxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0268113</sync-id>
  <structure-inchikey>YYPNBRMRXNXSDE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000004000000001800000000400000010000000000004000000000000000800000000000200000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000100000000008040000000000000010000000000504000100000000000000000000000000000000000000000000000200000800000000000000080000000000100000000000000020000000000004000000000000000080000000000000080000000000000000000000000000000000000002000008000000000000000000000100000000222000020000000000000000800000040000000002400000000000000000000020008000020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@h�������@h��������`�������(�������(�������(�������h��������`�������(�������(�������h��������`�������`������@(������@h�������@h�������@(������@h�������@h��������h��������(�������(�������h���������h���h���h���h���h��������� �	(��
 
������(��� �����������h���h���h���h���h��� �����(��� ��h���h�B����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:23:10Z</structure-indexed-at>
</compound>
