<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-31 08:29:16 UTC</creation_date>
  <update_date>2026-08-31 08:29:16 UTC</update_date>
  <accession/>
  <common_name>(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-1-[(2s,3r)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid</common_name>
  <class>SmallMolecule</class>
  <description>(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-1-[(2s,3r)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid is a compound with the formula C26H45N7O11. With an average molecular weight of 631.70 g/mol, (2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-1-[(2s,3r)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C26H45N7O11</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>631.3177053</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC(C(C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O)N)O</smiles>
  <inchi>InChI=1S/C26H45N7O11/c1-13(29-24(41)18-7-5-11-33(18)25(42)20(28)14(2)35)21(38)30-15(6-3-4-10-27)22(39)32-17(12-34)23(40)31-16(26(43)44)8-9-19(36)37/h13-18,20,34-35H,3-12,27-28H2,1-2H3,(H,29,41)(H,30,38)(H,31,40)(H,32,39)(H,36,37)(H,43,44)/t13-,14+,15-,16-,17-,18-,20-/m0/s1</inchi>
  <inchikey>WOLCYLGMDRGTGM-OGQIGFOHSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-8.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>631.3177053</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C(C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O)N)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C26H45N7O11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C26H45N7O11/c1-13(29-24(41)18-7-5-11-33(18)25(42)20(28)14(2)35)21(38)30-15(6-3-4-10-27)22(39)32-17(12-34)23(40)31-16(26(43)44)8-9-19(36)37/h13-18,20,34-35H,3-12,27-28H2,1-2H3,(H,29,41)(H,30,38)(H,31,40)(H,32,39)(H,36,37)(H,43,44)/t13-,14+,15-,16-,17-,18-,20-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WOLCYLGMDRGTGM-OGQIGFOHSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7279c29cf8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>5311183</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
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  </targets>
</compound>
