<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">93919</id>
  <title nil="true"/>
  <common-name>1-(2,4-Dinitrophenyl)-L-prolyl-L-leucylglycyl-L-isoleucyl-L-alanylglycyl-L-argininamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C36H59N13O11</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T02:24:38Z</created-at>
  <updated-at type="dateTime">2026-04-05T02:24:38Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@](C)(CC)[C@]([H])(N=C(O)CN=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]1([H])CCCN1C1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(O)=N[C@@]([H])(C)C(O)=NCC(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N</moldb-smiles>
  <moldb-formula>C36H59N13O11</moldb-formula>
  <moldb-inchi>InChI=1/C36H57N13O11/c1-6-20(4)30(35(56)43-21(5)32(53)41-17-28(50)44-23(31(37)52)9-7-13-40-36(38)39)46-29(51)18-42-33(54)24(15-19(2)3)45-34(55)26-10-8-14-47(26)25-12-11-22(48(57)58)16-27(25)49(59)60/h11-12,16,19-21,23-24,26,30H,6-10,13-15,17-18H2,1-5H3,(H2,37,52)(H,41,53)(H,42,54)(H,43,56)(H,44,50)(H,45,55)(H,46,51)(H4,38,39,40)</moldb-inchi>
  <moldb-inchikey>KGSKQRPJFBFFBW-SCTYRBDQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">847.932</moldb-average-mass>
  <moldb-mono-mass type="decimal">849.4456997</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM089812</chemdb-id>
  <dsstox-id>DTXSID40976078</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00055602</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
</compound>
