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CHEBI:82779 - benalaxyl-M

ChEBI IDCHEBI:82779
ChEBI Namebenalaxyl-M
Stars
DefinitionA methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl.
Last Modified21 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H23NO3
Net Charge0
Average Mass325.408
Monoisotopic Mass325.16779
SMILESCOC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C
InChIInChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1
InChIKeyCJPQIRJHIZUAQP-MRXNPFEDSA-N
Roles Classification
Biological Roles:
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.
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:
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
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)
benalaxyl-M (CHEBI:82779) is a D-alanine derivative (CHEBI:83944)
benalaxyl-M (CHEBI:82779) is a acylamino acid fungicide (CHEBI:87013)
benalaxyl-M (CHEBI:82779) is a anilide fungicide (CHEBI:87015)
benalaxyl-M (CHEBI:82779) is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CHEBI:82777)
benalaxyl-M (CHEBI:82779) is enantiomer of (S)-benalaxyl (CHEBI:82782)
Incoming Relation(s)
benalaxyl (CHEBI:3009) has part benalaxyl-M (CHEBI:82779)
(S)-benalaxyl (CHEBI:82782) is enantiomer of benalaxyl-M (CHEBI:82779)
IUPAC Name 
methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate
Synonyms  Source
(-)-R-BenalaxylChemIDplus
D-BenalaxylChemIDplus
IR 6141ChemIDplus
KiralaxylChemIDplus
methyl N-(phenylacetyl)-N-(2,6-xylyl)-D-alaninateAlan Wood's Pesticides
Manual XrefsDatabases
benalaxyl-mAlan Wood's Pesticides
US2008293707Patent
NZ575703Patent
WO2011108751Patent
WO2007031283Patent
1010PPDB
Registry NumbersSources
Reaxys:11327124Reaxys
CAS:98243-83-5ChemIDplus
Citations