<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362656</id>
  <title nil="true"/>
  <common-name>(2s)-5-carbamimidamido-2-[[(4r,7s,10s,13s,19s,22s,25s,28s,31r)-7,19,22-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-10,25-bis(3-carbamimidamidopropyl)-13,28-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carbonyl]amino]pentanoic acid</common-name>
  <description>(2s)-5-carbamimidamido-2-[[(4r,7s,10s,13s,19s,22s,25s,28s,31r)-7,19,22-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-10,25-bis(3-carbamimidamidopropyl)-13,28-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carbonyl]amino]pentanoic acid has the chemical formula C85H137N33O17S2. With an average molecular weight of 1,957 g/mol, (2s)-5-carbamimidamido-2-[[(4r,7s,10s,13s,19s,22s,25s,28s,31r)-7,19,22-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-10,25-bis(3-carbamimidamidopropyl)-13,28-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carbonyl]amino]pentanoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>16197433</pubchem-id>
  <chemical-formula>C85H137N33O17S2</chemical-formula>
  <weight>1957.3</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">2026-09-01T12:01:11Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:01:11Z</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"/>
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  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
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  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
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  <moldb-formula>C85H137N33O17S2</moldb-formula>
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  <moldb-mono-mass type="decimal">1956.031162</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-7.6</logp>
  <hmdb-id nil="true"/>
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  <chemdb-id>CHEM358549</chemdb-id>
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  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(2s)-5-carbamimidamido-2-[[(4r,7s,10s,13s,19s,22s,25s,28s,31r)-7,19,22-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-10,25-bis(3-carbamimidamidopropyl)-13,28-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carbonyl]amino]pentanoic acid</iupac>
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  <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"/>
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  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic Polymers</superklass>
  <klass>Polypeptides</klass>
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  <sync-id>CED0312717</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T05:59:36Z</structure-indexed-at>
</compound>
