<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343394</id>
  <title nil="true"/>
  <common-name>[(2r,3r,4s,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>102119</pubchem-id>
  <chemical-formula>C25H46N10O9</chemical-formula>
  <weight>630.7</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">2026-08-31T04:47:50Z</created-at>
  <updated-at type="dateTime">2026-08-31T04:47:50Z</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>C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCN)N)N)O</moldb-smiles>
  <moldb-formula>C25H46N10O9</moldb-formula>
  <moldb-inchi>InChI=1S/C25H46N10O9/c26-5-1-3-11(27)7-15(38)30-6-2-4-12(28)8-16(39)32-19-20(40)21(44-24(29)42)14(10-36)43-23(19)35-25-33-17-13(37)9-31-22(41)18(17)34-25/h11-14,17-21,23,36-37,40H,1-10,26-28H2,(H2,29,42)(H,30,38)(H,31,41)(H,32,39)(H2,33,34,35)/t11?,12?,13-,14-,17-,18+,19?,20+,21+,23-/m1/s1</moldb-inchi>
  <moldb-inchikey>SCHKAKNJXBPJHD-HKJHEKHQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">630.3449231</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-6.4</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>CHEM339287</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>[(2r,3r,4s,6r)-6-[[(3as,7r,7as)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate</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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0293770</sync-id>
  <structure-inchikey>SCHKAKNJXBPJHD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000400400000800080000028010000080000000000000400000200000000000000200104002000080000000000201002000000000010000002000000000000040100000000000000041020000000002080100000010028000002100000000020200001000000000040000000000000000002000000000000040000000010002000000000000000000020120080008000100000000400000000000040000080208000000000000000000008000000000000000800000000010400010c000000000000000004000802200000000000000000000000000000202001080000000000000000008000002008000000810440000002020000000004000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������,���.���€���`�������`�������`�������`�������(�������(�������h��������(�������(�������h��������h��������`�������`�������`�������`�������`������� ������`�������`�������(�������(�������(�������h��������`�������h��������(�������(�������`�������`�������`�������`�������`�������h��������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`��������������������(��� �����(��	 �
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:42:47Z</structure-indexed-at>
</compound>
