<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-01 08:41:06 UTC</creation_date>
  <update_date>2026-09-01 08:41:06 UTC</update_date>
  <accession/>
  <common_name>(2s)-2,6-diamino-n-[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide</common_name>
  <class>SmallMolecule</class>
  <description>(2s)-2,6-diamino-n-[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide has the chemical formula C68H106N16O10. With an average molecular weight of 1,308 g/mol, (2s)-2,6-diamino-n-[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide is a heavy molecule.

This compound is found in or released from one recorded source: household cleaning and consumer products (Tobacco Product Cases).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C68H106N16O10</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>1306.827784</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N</smiles>
  <inchi>InChI=1S/C68H106N16O10/c1-41(2)56(66(92)78-51(31-17-21-35-71)61(87)79-53(37-44-23-9-7-10-24-44)63(89)76-50(59(74)85)30-16-20-34-70)83-65(91)55(39-46-40-75-49-29-14-13-27-47(46)49)80-64(90)54(38-45-25-11-8-12-26-45)81-67(93)57(42(3)4)84-68(94)58(43(5)6)82-62(88)52(32-18-22-36-72)77-60(86)48(73)28-15-19-33-69/h7-14,23-27,29,40-43,48,50-58,75H,15-22,28,30-39,69-73H2,1-6H3,(H2,74,85)(H,76,89)(H,77,86)(H,78,92)(H,79,87)(H,80,90)(H,81,93)(H,82,88)(H,83,91)(H,84,94)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1</inchi>
  <inchikey>RNOUELPALQZLKN-ZDDODZTPSA-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>1.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>1306.827784</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C68H106N16O10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C68H106N16O10/c1-41(2)56(66(92)78-51(31-17-21-35-71)61(87)79-53(37-44-23-9-7-10-24-44)63(89)76-50(59(74)85)30-16-20-34-70)83-65(91)55(39-46-40-75-49-29-14-13-27-47(46)49)80-64(90)54(38-45-25-11-8-12-26-45)81-67(93)57(42(3)4)84-68(94)58(43(5)6)82-62(88)52(32-18-22-36-72)77-60(86)48(73)28-15-19-33-69/h7-14,23-27,29,40-43,48,50-58,75H,15-22,28,30-39,69-73H2,1-6H3,(H2,74,85)(H,76,89)(H,77,86)(H,78,92)(H,79,87)(H,80,90)(H,81,93)(H,82,88)(H,83,91)(H,84,94)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RNOUELPALQZLKN-ZDDODZTPSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bafb4c958&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>132602824</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
