<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353524</id>
  <title nil="true"/>
  <common-name>(6r,9r,12s,15s,18r,19r)-12-[(2r)-butan-2-yl]-6-[(1s)-1-hydroxyethyl]-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-19-octyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone</common-name>
  <description>(6r,9r,12s,15s,18r,19r)-12-[(2r)-butan-2-yl]-6-[(1s)-1-hydroxyethyl]-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-19-octyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone is a chemical compound with the formula C34H61N5O9. With an average molecular weight of 683.90 g/mol, (6r,9r,12s,15s,18r,19r)-12-[(2r)-butan-2-yl]-6-[(1s)-1-hydroxyethyl]-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-19-octyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>508501</pubchem-id>
  <chemical-formula>C34H61N5O9</chemical-formula>
  <weight>683.9</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">2026-08-31T20:29:40Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:29:40Z</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>CCCCCCCCC1C(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O1)C(C)O)CO)C(C)CC)CC(C)C)C)C</moldb-smiles>
  <moldb-formula>C34H61N5O9</moldb-formula>
  <moldb-inchi>InChI=1S/C34H61N5O9/c1-9-11-12-13-14-15-16-26-22(6)34(47)39(8)25(17-20(3)4)31(44)37-28(21(5)10-2)33(46)36-24(19-40)30(43)38-29(23(7)41)32(45)35-18-27(42)48-26/h20-26,28-29,40-41H,9-19H2,1-8H3,(H,35,45)(H,36,46)(H,37,44)(H,38,43)/t21-,22-,23+,24-,25+,26-,28+,29-/m1/s1</moldb-inchi>
  <moldb-inchikey>IPDAQEWYJLJGEJ-OSVRLIOUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">683.4469285</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM349417</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>(6r,9r,12s,15s,18r,19r)-12-[(2r)-butan-2-yl]-6-[(1s)-1-hydroxyethyl]-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-19-octyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone</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>CED0303806</sync-id>
  <structure-inchikey>IPDAQEWYJLJGEJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>440000000020000000008000000410002040000000000000000000021000000000040010020400200003000000000000000000000000120000000000000000000000000000000000000100002000000000a0800010010000000008000002000000000020010008008000000000020004000000020100000000200000020000100020000040000000000000220000014080000000000000000010000000000000100000040000000000000000080000000000000008000000000001002008000001800000000000000000000000000000000000440000024000100000000000000000000000000140002000004000010100000000000000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������0���0���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������(�������(�������h��������`�������(�������(�������h��������`�������(�������(�������h��������`�������(�������(�������h��������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:51:17Z</structure-indexed-at>
</compound>
