<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124670</id>
  <title nil="true"/>
  <common-name>[Seco-1/2]MC-HilR</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>155802340</pubchem-id>
  <chemical-formula>C50H78N10O13</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">2026-04-06T08:32:23Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:42:43Z</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>C50H78N10O13</moldb-formula>
  <moldb-inchi>InChI=1S/C50H78N10O13/c1-11-27(2)25-35(51)45(65)59-41(49(71)72)31(6)43(63)57-37(18-15-23-54-50(52)53)46(66)56-36(20-19-28(3)24-29(4)39(73-10)26-34-16-13-12-14-17-34)30(5)42(62)58-38(48(69)70)21-22-40(61)60(9)33(8)44(64)55-32(7)47(67)68/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26,51H2,1-7,9-10H3,(H,55,64)(H,56,66)(H,57,63)(H,58,62)(H,59,65)(H,67,68)(H,69,70)(H,71,72)(H4,52,53,54)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37-,38+,39-,41+/m0/s1</moldb-inchi>
  <moldb-inchikey>TWKTYHOANJLEMM-RZMACXILSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1026.574983</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>CHEM120563</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114526</susdat-id>
  <iupac>N2-((2S,3S,4E,6E,8S,9S)-3-((S)-2-((2S,3R)-3-((2S,4S)-2-amino-4-methylhexanamido)-3-carboxy-2-methylpropanamido)-5-guanidinopentanamido)-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl)-N5-(3-(((R)-1-carboxyethyl)amino)-3-oxoprop-1-en-2-yl)-N5-methyl-D-glutamine</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>
