45694 <common-name>N-(4-bromobenzyl)-N-pentanoyl-L-valine</common-name> <description nil="true"/> <cas>867022-57-9</cas> <pubchem-id>11696368</pubchem-id> <chemical-formula>C17H24BrNO3</chemical-formula> <weight nil="true"/> <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">2016-06-03T12:24:07Z</created-at> <updated-at type="dateTime">2026-03-27T01:48:50Z</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>[H][C@@](C(C)C)(N(CC1=CC=C(Br)C=C1)C(=O)CCCC)C(O)=O</moldb-smiles> <moldb-formula>C17H24BrNO3</moldb-formula> <moldb-inchi>InChI=1S/C17H24BrNO3/c1-4-5-6-15(20)19(16(12(2)3)17(21)22)11-13-7-9-14(18)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,21,22)/t16-/m0/s1</moldb-inchi> <moldb-inchikey>MQUSOWYDELDFBC-INIZCTEOSA-N</moldb-inchikey> <moldb-average-mass type="decimal">370.287</moldb-average-mass> <moldb-mono-mass type="decimal">369.093957</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9871093</chemspider-id> <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>CHEM044589</chemdb-id> <dsstox-id>DTXSID701226818</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006563</stoff-ident-id> <susdat-id>NS00007755</susdat-id> <iupac>(2S)-2-{N-[(4-bromophenyl)methyl]pentanamido}-3-methylbutanoic acid</iupac> </compound>