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<compound>
  <version>1.0</version>
  <creation_date>2026-08-22 07:54:47 UTC</creation_date>
  <update_date>2026-08-22 07:54:47 UTC</update_date>
  <accession/>
  <common_name>(2s)-1-[(2s)-2-[[2-[[(2s,3s)-2-[[(2s)-2-acetamido-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]-n-methylpyrrolidine-2-carboxamide</common_name>
  <class>SmallMolecule</class>
  <description>(2s)-1-[(2s)-2-[[2-[[(2s,3s)-2-[[(2s)-2-acetamido-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]-n-methylpyrrolidine-2-carboxamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 552.70 g/mol, (2s)-1-[(2s)-2-[[2-[[(2s,3s)-2-[[(2s)-2-acetamido-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]-n-methylpyrrolidine-2-carboxamide is a heavy molecule. Its chemical formula is C27H48N6O6.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C27H48N6O6</chemical_formula>
  <average_molecular_weight>552.7</average_molecular_weight>
  <monisotopic_moleculate_weight>552.3635333</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>9007-58-3</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1</inchi>
  <inchikey>DPUYCSDGMSDKKV-MKBYFEBXSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>552.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>552.3635333</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C27H48N6O6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DPUYCSDGMSDKKV-MKBYFEBXSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>439221</pubchem_compound_id>
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