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CHEBI:83610 - valifenalate

ChEBI IDCHEBI:83610
ChEBI Namevalifenalate
Stars
DefinitionA diastereoisomeric mixture of L-(R)- and L-(S)-valifenalate. An anti-peronosporic fungicide, it is used to control mildew in many crops including grapes, potatoes and tomatoes.
Last Modified21 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H27ClN2O5
Net Charge0
Average Mass398.887
Monoisotopic Mass398.16085
SMILESCOC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1
InChIKeyDBXFMOWZRXXBRN-LWKPJOBUSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
valifenalate (CHEBI:83610) has part L-(R)-valifenalate (CHEBI:83615)
valifenalate (CHEBI:83610) has part L-(S)-valifenalate (CHEBI:83616)
valifenalate (CHEBI:83610) has role antifungal agrochemical (CHEBI:86328)
valifenalate (CHEBI:83610) is a acylamino acid fungicide (CHEBI:87013)
valifenalate (CHEBI:83610) is a diastereoisomeric mixture (CHEBI:60915)
IUPAC Name 
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate
Synonyms  Source
methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-β-alaninateChEBI
methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-β-alaninateChEBI
methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-β-alaninateAlan Wood's Pesticides
valifénalateChEBI
Manual XrefsDatabases
valifenalateAlan Wood's Pesticides
1659PPDB
Registry NumbersSources
Reaxys:11327531Reaxys
CAS:283159-90-0Alan Wood's Pesticides