<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277083</id>
  <title nil="true"/>
  <common-name>2-[[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate</common-name>
  <description>2-[[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate is a chemical compound with the formula C44H68N4O16. With an average molecular weight of 909.00 g/mol, 2-[[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>161819948</pubchem-id>
  <chemical-formula>C44H68N4O16</chemical-formula>
  <weight>909</weight>
  <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">2026-08-26T16:54:04Z</created-at>
  <updated-at type="dateTime">2026-08-26T16:54:04Z</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>CC1(CC(CC(C1)(C)CNC(=O)OCCOC(=O)C=C)NC(=O)OCCOC(=O)C=C)C.CC1(CC(CC(C1)(C)CNC(=O)OCCOC(=O)C=C)NC(=O)OCCOC(=O)C=C)C</moldb-smiles>
  <moldb-formula>C44H68N4O16</moldb-formula>
  <moldb-inchi>InChI=1S/2C22H34N2O8/c2*1-6-17(25)29-8-10-31-19(27)23-15-22(5)13-16(12-21(3,4)14-22)24-20(28)32-11-9-30-18(26)7-2/h2*6-7,16H,1-2,8-15H2,3-5H3,(H,23,27)(H,24,28)</moldb-inchi>
  <moldb-inchikey>XVBRZMALRVEWGG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">908.4630321</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>CHEM272976</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl prop-2-enoate</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"/>
  <kingdom nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229265</sync-id>
  <structure-inchikey>XVBRZMALRVEWGG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000001000800000000000000010000000000004000000000000000000000000000000000000000000004010000000000000000000000000080800000008000000100000000000000000000020000001000300000000000000000000000000010000000000000000000000000000020000000100000000000000100000000048004040000000000002000080000000000000000000011000000020000000000000000000000200000000000000000000000000002100000000000000000000000000000000000020040000000000000000080100000002000000000020000000000040000000000000000410000000000000000000800008000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������@���@���€���`������� ������`�������`�������`������� ������`�������`�������`�������h��������(�������(�������(�������`�������`�������(�������(�������(�������h��������h��������h��������(�������(�������(�������`�������`�������(�������(�������(�������h��������h��������`�������`������� ������`�������`�������`������� ������`�������`�������`�������h��������(�������(�������(�������`�������`�������(�������(�������(�������h��������h��������h��������(�������(�������(�������`�������`�������(�������(�������(�������h��������h��������`�������������������������������	�	
 
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� ��������� ��(��� ��(������ ��(��� ����������� ��(��� ��(���� !�!"�"#�#$�$%�%&amp;�%'�%(�()�)* *+(�*, ,-�-.�./�/0 01(�02 23(�#4�45 56(�57 78�89�9:�:; ;&lt;(�;= =&gt;(�!?����&amp;!�B������������!&amp;%$#"����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:48Z</structure-indexed-at>
</compound>
