<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124795</id>
  <title nil="true"/>
  <common-name>[D-Leu1]MC‐HtyR</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>155802223</pubchem-id>
  <chemical-formula>C56H80N10O13</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">2026-04-06T08:40:45Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:56:47Z</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>C56H80N10O13</moldb-formula>
  <moldb-inchi>InChI=1S/C56H80N10O13/c1-31(2)28-44-53(74)62-42(24-20-37-18-21-39(67)22-19-37)52(73)65-47(55(77)78)35(6)49(70)61-41(16-13-27-59-56(57)58)51(72)60-40(23-17-32(3)29-33(4)45(79-9)30-38-14-11-10-12-15-38)34(5)48(69)63-43(54(75)76)25-26-46(68)66(8)36(7)50(71)64-44/h10-12,14-15,17-19,21-23,29,31,33-35,40-45,47,67H,7,13,16,20,24-28,30H2,1-6,8-9H3,(H,60,72)(H,61,70)(H,62,74)(H,63,69)(H,64,71)(H,65,73)(H,75,76)(H,77,78)(H4,57,58,59)/b23-17+,32-29+/t33-,34-,35-,40-,41-,42-,43+,44+,45-,47+/m0/s1</moldb-inchi>
  <moldb-inchikey>NIUNWCDFPXGJEK-QXTGSMIGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1100.590633</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>CHEM120688</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114658</susdat-id>
  <iupac>(5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-5-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,12,19-trimethyl-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>
