<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124771</id>
  <title nil="true"/>
  <common-name>[D-Leu1,D-Asp³]MC‐HphR</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>155801671</pubchem-id>
  <chemical-formula>C55H78N10O12</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">2026-04-06T08:39:16Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:50:32Z</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>C55H78N10O12</moldb-formula>
  <moldb-inchi>InChI=1S/C55H78N10O12/c1-32(2)28-43-52(72)61-41(24-22-37-16-11-9-12-17-37)51(71)64-44(54(75)76)31-46(66)59-40(20-15-27-58-55(56)57)50(70)60-39(23-21-33(3)29-34(4)45(77-8)30-38-18-13-10-14-19-38)35(5)48(68)62-42(53(73)74)25-26-47(67)65(7)36(6)49(69)63-43/h9-14,16-19,21,23,29,32,34-35,39-45H,6,15,20,22,24-28,30-31H2,1-5,7-8H3,(H,59,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H,73,74)(H,75,76)(H4,56,57,58)/b23-21+,33-29+/t34-,35-,39-,40-,41-,42+,43+,44+,45-/m0/s1</moldb-inchi>
  <moldb-inchikey>BXORURFXTQUPSQ-IEPLTTJDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1070.580068</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>CHEM120664</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114634</susdat-id>
  <iupac>(5R,8S,11R,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)-1,19-dimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-8-phenethyl-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>
