<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">354999</id>
  <title nil="true"/>
  <common-name>2-[34-butan-2-yl-8-hydroxy-13-(1-hydroxypropan-2-yl)-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>161618</pubchem-id>
  <chemical-formula>C39H54N10O13S</chemical-formula>
  <weight>903</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">2026-08-31T23:09:23Z</created-at>
  <updated-at type="dateTime">2026-08-31T23:09:23Z</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>CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)CO)C5=C(N3)C=C(C=C5)OC</moldb-smiles>
  <moldb-formula>C39H54N10O13S</moldb-formula>
  <moldb-inchi>InChI=1S/C39H54N10O13S/c1-5-17(2)31-36(58)42-12-29(53)43-26-16-63(61)38-22(21-7-6-20(62-4)9-23(21)46-38)10-24(33(55)41-13-30(54)47-31)44-37(59)32(18(3)15-50)48-35(57)27-8-19(51)14-49(27)39(60)25(11-28(40)52)45-34(26)56/h6-7,9,17-19,24-27,31-32,46,50-51H,5,8,10-16H2,1-4H3,(H2,40,52)(H,41,55)(H,42,58)(H,43,53)(H,44,59)(H,45,56)(H,47,54)(H,48,57)</moldb-inchi>
  <moldb-inchikey>PUHXEOFNJOLESC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">902.359253</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-3.5</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>CHEM350892</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-[34-butan-2-yl-8-hydroxy-13-(1-hydroxypropan-2-yl)-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide</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>CED0305276</sync-id>
  <structure-inchikey>PUHXEOFNJOLESC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>440010040020000000008000000411002008000000000000200000020100000000000010020400282000000000400000000000000000008000000000200081000000000000000000000300000000200000200000000801000012000010000000000400000100000000c30008101000400000000201000000000060000208001002200008c0000000400000200000000000001000000004000000000000400002000800008020000000040000080000000000000080000000000000002008000881800000010000000000080108404000000000440000000024004200000000000000000200000000002044000020000500000000008008200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������?���C���€���`�������`�������`�������`�������`�������(�������(�������h��������`�������(�������(�������h��������`�������`������� ������(������@(������@(�������`�������`�������(�������(�������h��������`�������(�������(�������h��������h��������(�������(�������`�������h��������(�������(�������`�������`�������`�������`�������(�������(�������(�������`�������h��������(�������(�������`�������(�������(�������h��������`�������`�������`�������`�������`������@(������@(������@8�������@h�������@(������@h�������@h��������(�������`�����������������������(��� ����	�	
(�	� ����������������h������������(��� ��������(��� ����� ��(��������   !(� "�"#�#$�$%�%&amp;�&amp;' '((�')�)*�*+ +,(�)-�-.�./(�.0 $1��2�23�24�45��6h�67h�78h�79h�9:h�:;h�;&lt;h�:= =&gt;����+��8�h�&amp;"�&lt;6h�B�����#"&amp;%$�876���9:;&lt;67��������������	������������� "&amp;')*+�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:52:58Z</structure-indexed-at>
</compound>
