<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-28 12:51:58 UTC</creation_date>
  <update_date>2026-08-28 12:51:58 UTC</update_date>
  <accession/>
  <common_name>(3r)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid</common_name>
  <class>SmallMolecule</class>
  <description>(3r)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This organic acid and derivative has the formula C15H17N5O4 and an average molecular weight of 331.33 g/mol. It has been found in or released from two recorded sources, which include auxiliary devices for electrical and electronic equipment and video games.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C15H17N5O4</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>331.128054</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>C#CC(CC(=O)O)NC(=O)CNC(=O)C1=CC(=CC=C1)N=C(N)N</smiles>
  <inchi>InChI=1S/C15H17N5O4/c1-2-10(7-13(22)23)19-12(21)8-18-14(24)9-4-3-5-11(6-9)20-15(16)17/h1,3-6,10H,7-8H2,(H,18,24)(H,19,21)(H,22,23)(H4,16,17,20)/t10-/m0/s1</inchi>
  <inchikey>IABCGGIFHPDBCJ-JTQLQIEISA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <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>-1.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>331.128054</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C#CC(CC(=O)O)NC(=O)CNC(=O)C1=CC(=CC=C1)N=C(N)N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H17N5O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H17N5O4/c1-2-10(7-13(22)23)19-12(21)8-18-14(24)9-4-3-5-11(6-9)20-15(16)17/h1,3-6,10H,7-8H2,(H,18,24)(H,19,21)(H,22,23)(H4,16,17,20)/t10-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IABCGGIFHPDBCJ-JTQLQIEISA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>492984</pubchem_compound_id>
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  <biocyc_id/>
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  <wikipidia/>
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