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<compound>
  <id type="integer">338885</id>
  <title nil="true"/>
  <common-name>(2s)-2-[[(1s,3s)-3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentanecarbonyl]amino]pentanedioic acid</common-name>
  <description>(2s)-2-[[(1s,3s)-3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentanecarbonyl]amino]pentanedioic acid is a chemical compound with the formula C24H23Cl2NO7. With an average molecular weight of 508.30 g/mol, (2s)-2-[[(1s,3s)-3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentanecarbonyl]amino]pentanedioic acid is a heavy molecule.</description>
  <cas>114668-76-7</cas>
  <pubchem-id>3087456</pubchem-id>
  <chemical-formula>C24H23Cl2NO7</chemical-formula>
  <weight>508.3</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">2026-08-30T22:03:07Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:03:07Z</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>C1CC(CC1C(=O)NC(CCC(=O)O)C(=O)O)OC2=C(C(=C(C=C2)C(=O)C3=CC=CC=C3)Cl)Cl</moldb-smiles>
  <moldb-formula>C24H23Cl2NO7</moldb-formula>
  <moldb-inchi>InChI=1S/C24H23Cl2NO7/c25-20-16(22(30)13-4-2-1-3-5-13)8-10-18(21(20)26)34-15-7-6-14(12-15)23(31)27-17(24(32)33)9-11-19(28)29/h1-5,8,10,14-15,17H,6-7,9,11-12H2,(H,27,31)(H,28,29)(H,32,33)/t14-,15-,17-/m0/s1</moldb-inchi>
  <moldb-inchikey>LIZCUFJOLZTAKO-ZOBUZTSGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">507.0851575</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM334778</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>(2s)-2-[[(1s,3s)-3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentanecarbonyl]amino]pentanedioic 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>CED0289311</sync-id>
  <structure-inchikey>LIZCUFJOLZTAKO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40400000000000001000800240000500000000000000000800000000000000000000000000000000000001000000000004000000000000000000000000400000200800000000400000000000000000000020000000004100000000009000000000000000010000000400000000000000200008020000001000020200000010100000002000000000800000000000000080000000000100000000020000000000010800000004000000000000084000000000020000000000000000000000000002000008000000000000008000000000000010000000000000400200000100000000000000000800000040000000000400000000010020004100000100000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:31Z</structure-indexed-at>
</compound>
