<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364436</id>
  <title nil="true"/>
  <common-name>(3s,6s,9s,12s,15r,20r,23s,26s,29s,32s)-3,6-bis(4-aminobutyl)-n-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2s)-2-[[(2s)-5-carbamimidamido-2-[[(2s)-5-carbamimidamido-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide</common-name>
  <description>(3s,6s,9s,12s,15r,20r,23s,26s,29s,32s)-3,6-bis(4-aminobutyl)-n-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2s)-2-[[(2s)-5-carbamimidamido-2-[[(2s)-5-carbamimidamido-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide has the chemical formula C97H144FN33O19S2. With an average molecular weight of 2,160 g/mol, (3s,6s,9s,12s,15r,20r,23s,26s,29s,32s)-3,6-bis(4-aminobutyl)-n-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2s)-2-[[(2s)-5-carbamimidamido-2-[[(2s)-5-carbamimidamido-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide is a heavy molecule.</description>
  <cas>664334-36-5</cas>
  <pubchem-id>91865076</pubchem-id>
  <chemical-formula>C97H144FN33O19S2</chemical-formula>
  <weight>2159.5</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
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  <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">2026-09-01T14:28:42Z</created-at>
  <updated-at type="dateTime">2026-09-01T14:28:42Z</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>C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C6=CC=C(C=C6)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC7=CC=C(C=C7)O</moldb-smiles>
  <moldb-formula>C97H144FN33O19S2</moldb-formula>
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  <moldb-mono-mass type="decimal">2158.07417</moldb-mono-mass>
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  <state nil="true"/>
  <logp>-2.9</logp>
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  <chemdb-id>CHEM360329</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>(3s,6s,9s,12s,15r,20r,23s,26s,29s,32s)-3,6-bis(4-aminobutyl)-n-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2s)-2-[[(2s)-5-carbamimidamido-2-[[(2s)-5-carbamimidamido-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide</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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  <kingdom>Organic compounds</kingdom>
  <superklass>Organic Polymers</superklass>
  <klass>Polypeptides</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314429</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T06:00:52Z</structure-indexed-at>
</compound>
