85355 <common-name>N-(2,4-dinitrophenyl)-L-valine</common-name> <description>N-(2,4-dinitrophenyl)-L-valine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C11H15N3O6 and an average molecular weight of 283.24 g/mol. This compound is further classified under the superclass of organic acids and derivatives.</description> <cas>1694-97-9</cas> <pubchem-id>96810</pubchem-id> <chemical-formula>C11H15N3O6</chemical-formula> <weight>283.24</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">2026-04-04T20:26:13Z</created-at> <updated-at type="dateTime">2026-08-18T09:32:18Z</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)C(NC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(O)=O</moldb-smiles> <moldb-formula>C11H15N3O6</moldb-formula> <moldb-inchi>InChI=1/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)</moldb-inchi> <moldb-inchikey>AYLCDVYHZOZQKM-JTQLQIEISA-N</moldb-inchikey> <moldb-average-mass type="decimal">283.24</moldb-average-mass> <moldb-mono-mass type="decimal">285.0960852</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM081248</chemdb-id> <dsstox-id>DTXSID00874203</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00045465</susdat-id> <iupac>(2S)-2-(2,4-dinitroanilino)-3-methylbutanoic 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>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0062661</sync-id> <structure-inchikey>AYLCDVYHZOZQKM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40200000000000000000000000000000000000000000000001000000000000000000001000000000000000002000000004000000000000000000000000000010000000020000000000000000000000000020000000002000001800000000400000000000010000000200000000100000000000000000000000000000000000000000000040000000000000020000000080000000001000000080000000000020000200000000000100000000080000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000200000400000000420000000800800040000000000400000800001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAwEHAGgAAAADAgEGQCgAAAADBAZAKAAAAAMEBkBo AAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEHACoAAAABAwQIACoA AAD/AwEIACgAAAADAgcAKgAAAAEDBAgAKgAAAP8DAQgAKAAAAAMCBgAoAAAA AwQIAGgAAAADAQEIACgAAAADAgsAAQABAgABAwADBAAEBSAFBmgMBgdoDAcI aAwICWgMCQpoDAgLIAsMIAsNKAIGDiAODyAOECgCAxEAERIgERMoAgoFaAxC AQAAAAYFCgkIBwYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:12Z</structure-indexed-at> </compound>