<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344886</id>
  <title nil="true"/>
  <common-name>2-[[2-methyl-5-[4-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]butoxycarbonylamino]phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>116715</pubchem-id>
  <chemical-formula>C26H30F11N3O8S</chemical-formula>
  <weight>753.6</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">2026-08-31T07:05:37Z</created-at>
  <updated-at type="dateTime">2026-08-31T07:05:37Z</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=C(C=C(C=C1)NC(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OC(C)COC(=O)C(=C)C</moldb-smiles>
  <moldb-formula>C26H30F11N3O8S</moldb-formula>
  <moldb-inchi>InChI=1S/C26H30F11N3O8S/c1-14(2)19(41)47-13-16(4)48-21(43)39-18-12-17(9-8-15(18)3)38-20(42)46-11-7-6-10-40(5)49(44,45)26(36,37)24(31,32)22(27,28)23(29,30)25(33,34)35/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,38,42)(H,39,43)</moldb-inchi>
  <moldb-inchikey>VORMEUUFGOJQNI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">753.1577959</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.6</logp>
  <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>CHEM340779</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-[[2-methyl-5-[4-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]butoxycarbonylamino]phenyl]carbamoyloxy]propyl 2-methylprop-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>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylcarbamic acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0295249</sync-id>
  <structure-inchikey>VORMEUUFGOJQNI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400400000000001004008000000022000000100800000081000004000000000200000010000000000000000200000000040000000000000000000000000000000000001400000000000000000000000000202000000001000000000000000000000000000100000000100000001042000000080000000000000800000000044200000000c00000004000000000000000a0100000000a00000080000040000000000000000102000000000200080102000010000000040080082000000000400000000000000000000040000040000000040000100000002002004202000000000000008000000000000040000000010500800001000080000008000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������1���1���€���`������@(������@(������@h�������@(������@h�������@h��������h��������(�������(�������(�������`�������`�������`�������`������� ������`������� ������(�������(������� ������ ������ ������ ������ ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ������h��������(�������(�������(�������`�������`�������`�������(�������(�������(�������(�������h��������`�����������h���h���h���h���h��� �� �	(��
 
��������������������������������������������������������������� ��!��"��#��$ $% %&amp;(�%' '(�()�(*�*+�+, ,-(�,. ./(�.0���h�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:06Z</structure-indexed-at>
</compound>
