<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124763</id>
  <title nil="true"/>
  <common-name>[Leu1,MeO-Glu6]MC‐HilR</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>146683872</pubchem-id>
  <chemical-formula>C54H84N10O12</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">2026-04-06T08:38:46Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:49:57Z</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>C54H84N10O12</moldb-formula>
  <moldb-inchi>InChI=1S/C54H84N10O12/c1-13-31(4)28-42-51(71)63-45(52(72)73)35(8)47(67)59-39(20-17-25-57-54(55)56)49(69)58-38(22-21-32(5)27-33(6)43(75-11)29-37-18-15-14-16-19-37)34(7)46(66)60-40(53(74)76-12)23-24-44(65)64(10)36(9)48(68)61-41(26-30(2)3)50(70)62-42/h14-16,18-19,21-22,27,30-31,33-35,38-43,45H,9,13,17,20,23-26,28-29H2,1-8,10-12H3,(H,58,69)(H,59,67)(H,60,66)(H,61,68)(H,62,70)(H,63,71)(H,72,73)(H4,55,56,57)/b22-21+,32-27+/t31-,33-,34-,35-,38-,39-,40+,41+,42-,43-,45+/m0/s1</moldb-inchi>
  <moldb-inchikey>PZMFYRLMLBDWAA-SJELWDFNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1064.627019</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>CHEM120656</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114626</susdat-id>
  <iupac>(5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-5-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-22-(methoxycarbonyl)-1,12,19-trimethyl-8-((S)-2-methylbutyl)-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11-carboxylic 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>
