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  <id type="integer">136626</id>
  <title nil="true"/>
  <common-name>Nerofe</common-name>
  <description>Nerofe belongs to the polypeptides, a class of organic polymers within the organic compounds. It has the chemical formula C96H129N21O20. With an average molecular weight of 1,897 g/mol, Nerofe is a heavy molecule.</description>
  <cas>1311294-45-7</cas>
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  <chemical-formula>C96H129N21O20</chemical-formula>
  <weight nil="true"/>
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  <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">2026-04-14T19:55:55Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:45:06Z</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>DB14786</drugbank-id>
  <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>CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(O)=O</moldb-smiles>
  <moldb-formula>C96H129N21O20</moldb-formula>
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  <moldb-average-mass type="decimal">1897.215</moldb-average-mass>
  <moldb-mono-mass type="decimal">1895.972275638</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-3.8</logp>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM132519</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)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R,3R)-2-[(2R)-2-{[(2R)-1-[(2R)-2-[(2R)-2-[(2R)-2-[(2R,3R)-2-[(2R)-2-[(2R)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-phenylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]hexanoic 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"/>
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  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
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  <kingdom>Organic compounds</kingdom>
  <superklass>Organic Polymers</superklass>
  <klass>Polypeptides</klass>
  <subklass nil="true"/>
  <paper-count type="integer">11</paper-count>
  <sync-id>CED0034855</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:50:00Z</structure-indexed-at>
</compound>
