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<compound>
  <version>1.0</version>
  <creation_date>2026-08-31 19:38:57 UTC</creation_date>
  <update_date>2026-08-31 19:38:57 UTC</update_date>
  <accession/>
  <common_name>(2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-4-methylsulfonylbutanoyl]amino]hexanoic acid</common_name>
  <class>SmallMolecule</class>
  <description>(2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-4-methylsulfonylbutanoyl]amino]hexanoic acid has the chemical formula C33H65N5O7S. With an average molecular weight of 676.00 g/mol, (2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-4-methylsulfonylbutanoyl]amino]hexanoic acid is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C33H65N5O7S</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>675.4604706</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1101448-24-1</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CCS(=O)(=O)C)C(=O)NC(CCCCN)C(=O)O</smiles>
  <inchi>InChI=1S/C33H65N5O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30(39)36-27(20-16-18-24-34)31(40)37-28(23-26-46(2,44)45)32(41)38-29(33(42)43)21-17-19-25-35/h27-29H,3-26,34-35H2,1-2H3,(H,36,39)(H,37,40)(H,38,41)(H,42,43)/t27-,28-,29-/m0/s1</inchi>
  <inchikey>RGXYBFJDNNODFP-AWCRTANDSA-N</inchikey>
  <taxonomy>
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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>
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      <kind>logp</kind>
      <value>3</value>
    </property>
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    <property>
      <kind>mono_mass</kind>
      <value>675.4604706</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CCS(=O)(=O)C)C(=O)NC(CCCCN)C(=O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C33H65N5O7S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C33H65N5O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30(39)36-27(20-16-18-24-34)31(40)37-28(23-26-46(2,44)45)32(41)38-29(33(42)43)21-17-19-25-35/h27-29H,3-26,34-35H2,1-2H3,(H,36,39)(H,37,40)(H,38,41)(H,42,43)/t27-,28-,29-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RGXYBFJDNNODFP-AWCRTANDSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <lethaldose/>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72a97378a0&gt;</health_effects>
  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>71587932</pubchem_compound_id>
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