<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341353</id>
  <title nil="true"/>
  <common-name>Carboxymethyl-dimethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecylsulfanyl)acetyl]amino]propyl]azanium</common-name>
  <description>Carboxymethyl-dimethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecylsulfanyl)acetyl]amino]propyl]azanium is a chemical compound with the formula C25H22F29N2O3S+. With an average molecular weight of 981.50 g/mol, Carboxymethyl-dimethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecylsulfanyl)acetyl]amino]propyl]azanium is a heavy molecule.</description>
  <cas>1513863-99-4</cas>
  <pubchem-id>139597380</pubchem-id>
  <chemical-formula>C25H22F29N2O3S+</chemical-formula>
  <weight>981.5</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">2026-08-31T01:40:40Z</created-at>
  <updated-at type="dateTime">2026-08-31T01:40:40Z</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>C[N+](C)(CCCNC(=O)CSCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O</moldb-smiles>
  <moldb-formula>C25H22F29N2O3S+</moldb-formula>
  <moldb-inchi>InChI=1S/C25H21F29N2O3S/c1-56(2,8-11(58)59)6-3-5-55-10(57)9-60-7-4-12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)18(38,39)19(40,41)20(42,43)21(44,45)22(46,47)23(48,49)24(50,51)25(52,53)54/h3-9H2,1-2H3,(H-,55,57,58,59)/p+1</moldb-inchi>
  <moldb-inchikey>UUEANJVAKPUDGY-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">981.0888054</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>10.4</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>CHEM337246</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>Carboxymethyl-dimethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecylsulfanyl)acetyl]amino]propyl]azanium</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291751</sync-id>
  <structure-inchikey>UUEANJVAKPUDGY-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>1000024000100000800000002800800000000000000004000000000000000000000000000000000040000000000004000002000000000000000000000000000000000000000000000400000008080020101000000000000000000000000000000000010000010000000000000200000048000000004000080000000000000000000840000000000000000000000080000202000000800000000000010000000000080000000000000000000002200000000000040000000000000000000000000000000020000000100000000000000000000000000000400000001000000000000000000000000008000000010400800000010000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������&lt;���;���€���`������ "�������`�������`�������`�������`�������h��������(�������(�������`������� ������`�������`������� ������ ������ ������ ������ ������ ������ ������ ������ ������ ������ ������ ������ ������ ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ������`�������(�������(�������h��������������������������� ��(��	�	
�
������������������������������������������������������������� ��!��"��#��$��%��&amp;��'��(��)��*��+��,��-��.��/��0��1��2��3��4��5�6�7��8�89�9:(�9; B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:18Z</structure-indexed-at>
</compound>
