<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124557</id>
  <title nil="true"/>
  <common-name>[D‐Asp³]MCVA</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>146684714</pubchem-id>
  <chemical-formula>C44H63N7O12</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">2026-04-06T08:24:30Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:22:17Z</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>C44H63N7O12</moldb-formula>
  <moldb-inchi>InChI=1S/C44H63N7O12/c123(2)3742(58)4933(44(61)62)2235(52)4527(6)39(55)4731(171624(3)2025(4)34(6310)2130141211131530)26(5)38(54)4832(43(59)60)181936(53)51(9)29(8)41(57)4628(7)40(56)5037/h1117,20,23,2528,3134,37H,8,1819,2122H2,17,910H3,(H,45,52)(H,46,57)(H,47,55)(H,48,54)(H,49,58)(H,50,56)(H,59,60)(H,61,62)/b1716+,2420+/t25,26,27,28+,31,32+,33+,34,37/m0/s1</moldb-inchi>
  <moldb-inchikey>RBZCKDFHDZZPOQ-FTJZKGJUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">881.4534708</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>CHEM120450</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114392</susdat-id>
  <iupac>(5R,8S,11R,15S,18S,19S,22R)8isopropyl18((1E,3E,5S,6S)6methoxy3,5dimethyl7phenylhepta1,3dien1yl)1,5,15,19tetramethyl2methylene3,6,9,13,16,20,25heptaoxo1,4,7,10,14,17,21heptaazacyclopentacosane11,22dicarboxylic 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>
