<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124735</id>
  <title nil="true"/>
  <common-name>[Gly1,D-Asp3,ADMAdda5]MC-RHar</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>146683839</pubchem-id>
  <chemical-formula>C49H73N13O13</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">2026-04-06T08:36:52Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:47:52Z</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 nil="true"/>
  <moldb-formula>C49H73N13O13</moldb-formula>
  <moldb-inchi>InChI=1S/C49H73N13O13/c1-27(23-28(2)38(75-31(5)63)24-32-13-8-7-9-14-32)17-18-33-29(3)42(67)60-36(46(71)72)19-20-41(66)62(6)30(4)43(68)56-26-40(65)58-35(16-12-22-55-49(52)53)45(70)61-37(47(73)74)25-39(64)57-34(44(69)59-33)15-10-11-21-54-48(50)51/h7-9,13-14,17-18,23,28-29,33-38H,4,10-12,15-16,19-22,24-26H2,1-3,5-6H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,50,51,54)(H4,52,53,55)/b18-17+,27-23+/t28-,29-,33-,34-,35-,36+,37+,38-/m0/s1</moldb-inchi>
  <moldb-inchikey>DXQGDFJSROTNES-RFXBWKCSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1051.5451</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>CHEM120628</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114598</susdat-id>
  <iupac>(8S,11R,15S,18S,19S,22R)-18-((1E,3E,5S,6S)-6-acetoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-15-(4-guanidinobutyl)-8-(3-guanidinopropyl)-1,19-dimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid</iupac>
  <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>
