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  <id type="integer">348584</id>
  <title nil="true"/>
  <common-name>Methyl (2s)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoate</common-name>
  <description>Methyl (2s)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoate is a chemical compound with the formula C28H37N3O7. With an average molecular weight of 527.60 g/mol, Methyl (2s)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>45049875</pubchem-id>
  <chemical-formula>C28H37N3O7</chemical-formula>
  <weight>527.6</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">2026-08-31T12:39:21Z</created-at>
  <updated-at type="dateTime">2026-08-31T12:39:21Z</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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  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)C(C(=O)OC)NC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C28H37N3O7</moldb-formula>
  <moldb-inchi>InChI=1S/C28H37N3O7/c1-20(2)24(26(33)36-3)31-25(32)23(30-28(35)38-19-22-14-8-5-9-15-22)16-10-11-17-29-27(34)37-18-21-12-6-4-7-13-21/h4-9,12-15,20,23-24H,10-11,16-19H2,1-3H3,(H,29,34)(H,30,35)(H,31,32)/t23?,24-/m0/s1</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">527.2631505</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</logp>
  <hmdb-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM344477</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>Methyl (2s)-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoate</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"/>
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  <moldb-alogps-solubility nil="true"/>
  <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>CED0298914</sync-id>
  <structure-inchikey>QCZQCQCZWMZCBE-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:46:54Z</structure-indexed-at>
</compound>
