<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124572</id>
  <title nil="true"/>
  <common-name>[Seco‐1/2]MC‐FR</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>155802218</pubchem-id>
  <chemical-formula>C52H74N10O13</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">2026-04-06T08:25:42Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:27:44Z</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>C52H74N10O13</moldb-formula>
  <moldb-inchi>InChI=1S/C52H74N10O13/c1-29(26-30(2)41(75-8)28-36-18-13-10-14-19-36)21-22-38(31(3)44(64)60-40(50(71)72)23-24-42(63)62(7)34(6)46(66)57-33(5)49(69)70)58-48(68)39(20-15-25-56-52(54)55)59-45(65)32(4)43(51(73)74)61-47(67)37(53)27-35-16-11-9-12-17-35/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28,53H2,1-5,7-8H3,(H,57,66)(H,58,68)(H,59,65)(H,60,64)(H,61,67)(H,69,70)(H,71,72)(H,73,74)(H4,54,55,56)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39-,40+,41-,43+/m0/s1</moldb-inchi>
  <moldb-inchikey>NGLPKMLVTYMODN-UUUMXHOZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1046.543683</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>CHEM120465</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114411</susdat-id>
  <iupac>N2-((2S,3S,4E,6E,8S,9S)-3-((S)-2-((2S,3R)-3-((S)-2-amino-3-phenylpropanamido)-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>
