<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">359516</id>
  <title nil="true"/>
  <common-name>3,6-dibenzyl-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,24-bis(2-methylpropyl)-9,12,21-tri(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3080364</pubchem-id>
  <chemical-formula>C59H90N8O11</chemical-formula>
  <weight>1087.4</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">2026-09-01T07:39:49Z</created-at>
  <updated-at type="dateTime">2026-09-01T07:39:49Z</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>CC(C)CC1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)C)C(C)(C)O)C)CC(C)C)C(C)C)C</moldb-smiles>
  <moldb-formula>C59H90N8O11</moldb-formula>
  <moldb-inchi>InChI=1S/C59H90N8O11/c1-34(2)30-41-54(72)64(14)46(36(5)6)51(69)61-42(31-35(3)4)55(73)66(16)49(59(11,12)77)58(76)78-48(38(9)10)57(75)65(15)47(37(7)8)52(70)62-43(32-39-24-19-17-20-25-39)53(71)63(13)45(33-40-26-21-18-22-27-40)56(74)67-29-23-28-44(67)50(68)60-41/h17-22,24-27,34-38,41-49,77H,23,28-33H2,1-16H3,(H,60,68)(H,61,69)(H,62,70)</moldb-inchi>
  <moldb-inchikey>YIJMITSCVGVDJX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1086.672906</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.2</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>CHEM355409</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>3,6-dibenzyl-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,24-bis(2-methylpropyl)-9,12,21-tri(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone</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>Peptidomimetics</klass>
  <subklass>Depsipeptides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0309727</sync-id>
  <structure-inchikey>YIJMITSCVGVDJX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>44001000000000000000880200003000000000000000000000000010010000040000001000040020000108000000200004800000000000020020000002000000000000000080000000040000000000200020800010080000000000400002000000000020011200000000000000020000000000020104000400000040010000100820000040600000800000220000004000000000000100000000000000000000000000008004000000000000080000000004000000008000008000000000001010000800000000000800080000000400000000408000020000000220000001000000000000000100000048000000080000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������N���Q���€���`�������`�������`�������`�������`�������(�������(�������(�������`�������(�������(�������h��������`�������(�������(�������(�������`�������(�������(�������(�������`�������(�������(�������(�������`�������(�������(�������h��������`�������(�������(�������(�������`�������(�������(�������(�������`�������`�������`�������`�������(�������(�������h��������`������@(������@h�������@h�������@h�������@h�������@h��������`�������`������@(������@h�������@h�������@h�������@h�������@h��������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�����������������������(��� ����	�	
(�	� ������(�� ��������(��� ��������(��� ��������(��� ��������(��� � � !�!"(�!# #$�$%�%&amp;�&amp;'�'(�()(�(*  +�+,�,-h�-.h�./h�/0h�01h��2��3�34�45h�56h�67h�78h�89h��:�:;�:&lt;��=��&gt;�&gt;?�&gt;@��A�AB�AC�AD��E��F�FG�GH�GI��J�JK�JL��M�*��'#�1,h�94h�B���������	��������������� !#'(*�$#'&amp;%�-./01,�567894����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:57:01Z</structure-indexed-at>
</compound>
