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<compound>
  <id type="integer">329367</id>
  <title nil="true"/>
  <common-name>[(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3-acetamido-6-aminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate</common-name>
  <description>[(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3-acetamido-6-aminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate is a chemical compound with the formula C21H36N8O9. With an average molecular weight of 544.60 g/mol, [(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3-acetamido-6-aminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>102039155</pubchem-id>
  <chemical-formula>C21H36N8O9</chemical-formula>
  <weight>544.6</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">2026-08-30T09:34:59Z</created-at>
  <updated-at type="dateTime">2026-08-30T09:34:59Z</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)NC(CCCN)CC(=O)NC1C(C(C(OC1NC2=NC3C(N2)C(CNC3=O)O)CO)OC(=O)N)O</moldb-smiles>
  <moldb-formula>C21H36N8O9</moldb-formula>
  <moldb-inchi>InChI=1S/C21H36N8O9/c1-8(31)25-9(3-2-4-22)5-12(33)26-15-16(34)17(38-20(23)36)11(7-30)37-19(15)29-21-27-13-10(32)6-24-18(35)14(13)28-21/h9-11,13-17,19,30,32,34H,2-7,22H2,1H3,(H2,23,36)(H,24,35)(H,25,31)(H,26,33)(H2,27,28,29)/t9-,10+,11+,13+,14-,15+,16-,17-,19+/m0/s1</moldb-inchi>
  <moldb-inchikey>KNRGVMKMLCZEDK-NNXJIFFLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">544.2605248</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-5.8</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>CHEM325260</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>[(2r,3r,4s,5r,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3s)-3-acetamido-6-aminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate</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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0279934</sync-id>
  <structure-inchikey>KNRGVMKMLCZEDK-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:32:13Z</structure-indexed-at>
</compound>
