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<compound>
  <id type="integer">84709</id>
  <title nil="true"/>
  <common-name>1-[1-[[(Benzyloxy)carbonyl]amino]-2,2,2-trifluoroethyl]-N-(tert-butoxycarbonyl)-L-histidine</common-name>
  <description>1-[1-[[(Benzyloxy)carbonyl]amino]-2,2,2-trifluoroethyl]-N-(tert-butoxycarbonyl)-L-histidine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the formula C21H25F3N4O6 and an average molecular weight of 486.45 g/mol.</description>
  <cas>7682-45-3</cas>
  <pubchem-id>111023</pubchem-id>
  <chemical-formula>C21H25F3N4O6</chemical-formula>
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  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
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  <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">2026-04-04T20:06:08Z</created-at>
  <updated-at type="dateTime">2026-04-04T20:06:08Z</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"/>
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  <pdb-id nil="true"/>
  <actor-id nil="true"/>
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  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@@](CC1=CN(C=N1)C([H])(N=C(O)OCC1=CC=CC=C1)C(F)(F)F)(N=C(O)OC(C)(C)C)C(O)=O</moldb-smiles>
  <moldb-formula>C21H25F3N4O6</moldb-formula>
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  <moldb-inchikey>MXBLBDHOSUWYDH-MYJWUSKBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">486.448</moldb-average-mass>
  <moldb-mono-mass type="decimal">486.1726192</moldb-mono-mass>
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  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
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  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM080602</chemdb-id>
  <dsstox-id>DTXSID20998137</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00044693</susdat-id>
  <iupac nil="true"/>
  <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">0</paper-count>
  <sync-id>CED0179766</sync-id>
  <structure-inchikey>MXBLBDHOSUWYDH-MYJWUSKBSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:29:47Z</structure-indexed-at>
</compound>
