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<compound>
  <id type="integer">346301</id>
  <title nil="true"/>
  <common-name>3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid</common-name>
  <description>3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid has the chemical formula C27H26I6N4O8. With an average molecular weight of 1,296 g/mol, 3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid is a heavy molecule.</description>
  <cas>26280-73-9</cas>
  <pubchem-id>33464</pubchem-id>
  <chemical-formula>C27H26I6N4O8</chemical-formula>
  <weight>1295.9</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">2026-08-31T09:42:22Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:42:22Z</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>CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I</moldb-smiles>
  <moldb-formula>C27H26I6N4O8</moldb-formula>
  <moldb-inchi>InChI=1S/C27H26I6N4O8/c1-10(38)34-8-12-18(28)16(26(42)43)22(32)24(20(12)30)36-14(40)6-4-3-5-7-15(41)37-25-21(31)13(9-35-11(2)39)19(29)17(23(25)33)27(44)45/h3-9H2,1-2H3,(H,34,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)(H,44,45)</moldb-inchi>
  <moldb-inchikey>VIUSPLNTYLTBTQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1295.6019</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM342194</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-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic 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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296654</sync-id>
  <structure-inchikey>VIUSPLNTYLTBTQ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:45:04Z</structure-indexed-at>
</compound>
