<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337497</id>
  <title nil="true"/>
  <common-name>(2s,3s,6r)-3-[[(2s)-2-[[(2s)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)-3-methylpentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid</common-name>
  <description>(2s,3s,6r)-3-[[(2s)-2-[[(2s)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)-3-methylpentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid is a chemical compound with the formula C23H37N9O6. With an average molecular weight of 535.60 g/mol, (2s,3s,6r)-3-[[(2s)-2-[[(2s)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)-3-methylpentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>91820412</pubchem-id>
  <chemical-formula>C23H37N9O6</chemical-formula>
  <weight>535.6</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">2026-08-30T20:20:05Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:20:05Z</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>CC(C)CC(C(=O)NC(C(C)CCN=C(N)N)C(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N</moldb-smiles>
  <moldb-formula>C23H37N9O6</moldb-formula>
  <moldb-inchi>InChI=1S/C23H37N9O6/c1-11(2)10-13(24)19(33)31-17(12(3)6-8-28-22(26)27)20(34)29-14-4-5-16(38-18(14)21(35)36)32-9-7-15(25)30-23(32)37/h4-5,7,9,11-14,16-18H,6,8,10,24H2,1-3H3,(H,29,34)(H,31,33)(H,35,36)(H2,25,30,37)(H4,26,27,28)/t12?,13-,14-,16+,17-,18-/m0/s1</moldb-inchi>
  <moldb-inchikey>INRNKHHTEKJDTA-JKXRSWOVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">535.2866799</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-3.9</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>CHEM333390</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>(2s,3s,6r)-3-[[(2s)-2-[[(2s)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)-3-methylpentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid</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 acids and derivatives</superklass>
  <klass>Peptidomimetics</klass>
  <subklass>Hybrid peptides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0287937</sync-id>
  <structure-inchikey>INRNKHHTEKJDTA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000002000080000000040000088000000020000000000100000000000000100000002000000001000000201400008000c000000000000004000000000000000000000c40000002000000000020800000800200040004001000010000002000010000000000000000000020000200008100000080002000000000100000000040000010000400020000000080001000000000018000000000000000040000000000000000004000080000000000010000004004000000000000202000100000000000000020000000000000000000000000000000008200000001400000000000000141000040010000000442100000000000000000000000000020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAJwAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:36Z</structure-indexed-at>
</compound>
