<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362660</id>
  <title nil="true"/>
  <common-name>(4r,7s,10s,13r,16s,19r)-10-(4-aminobutyl)-n-[(2s,3r)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2r)-2,6-bis[[2-[[(6ar,9r,10ar)-7-propyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]acetyl]amino]hexanoyl]amino]-7-ethyl-16-[(4-hydroxyphenyl)methyl]-13-(1h-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide</common-name>
  <description>(4r,7s,10s,13r,16s,19r)-10-(4-aminobutyl)-n-[(2s,3r)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2r)-2,6-bis[[2-[[(6ar,9r,10ar)-7-propyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]acetyl]amino]hexanoyl]amino]-7-ethyl-16-[(4-hydroxyphenyl)methyl]-13-(1h-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide has the chemical formula C86H116N16O12S4. With an average molecular weight of 1,694 g/mol, (4r,7s,10s,13r,16s,19r)-10-(4-aminobutyl)-n-[(2s,3r)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2r)-2,6-bis[[2-[[(6ar,9r,10ar)-7-propyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]acetyl]amino]hexanoyl]amino]-7-ethyl-16-[(4-hydroxyphenyl)methyl]-13-(1h-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide is a heavy molecule.</description>
  <cas>778630-77-6</cas>
  <pubchem-id>154584814</pubchem-id>
  <chemical-formula>C86H116N16O12S4</chemical-formula>
  <weight>1694.2</weight>
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  <boiling-point nil="true"/>
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  <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">2026-09-01T12:01:34Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:01:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
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  <moldb-formula>C86H116N16O12S4</moldb-formula>
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  <state nil="true"/>
  <logp>7.4</logp>
  <hmdb-id nil="true"/>
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  <chemdb-id>CHEM358553</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
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  <susdat-id nil="true"/>
  <iupac>(4r,7s,10s,13r,16s,19r)-10-(4-aminobutyl)-n-[(2s,3r)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2r)-2,6-bis[[2-[[(6ar,9r,10ar)-7-propyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]acetyl]amino]hexanoyl]amino]-7-ethyl-16-[(4-hydroxyphenyl)methyl]-13-(1h-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide</iupac>
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  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
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  <moldb-physiological-charge nil="true"/>
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  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0312721</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T05:59:36Z</structure-indexed-at>
</compound>
