benalaxyl-M (CHEBI:82779)

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ChEBI Name	benalaxyl-M

ChEBI ID	CHEBI:82779

Definition	A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H23NO3

Net Charge

Average Mass

325.40150

Monoisotopic Mass

325.16779

InChI

InChI=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

InChIKey

CJPQIRJHIZUAQP-MRXNPFEDSA-N

SMILES

COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C

Roles Classification
Biological Role(s):	fungicide A substance used to destroy fungal pests. (via acylamino acid fungicide ) (via amide fungicide ) (via anilide fungicide ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via amide antifungal agent )

Application(s):	fungicide A substance used to destroy fungal pests. (via acylamino acid fungicide ) (via amide fungicide ) (via anilide fungicide )

ChEBI Ontology
Outgoing	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	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	Sources
(-)-R-Benalaxyl	ChemIDplus
D-Benalaxyl	ChemIDplus
IR 6141	ChemIDplus
Kiralaxyl	ChemIDplus
methyl N-(phenylacetyl)-N-(2,6-xylyl)-D-alaninate	Alan Wood's Pesticides

Citation	Type	Source
23052585	PubMed citation	Europe PMC

Last Modified

21 July 2015