CHEBI:82782 - (S)-benalaxyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-benalaxyl
ChEBI ID CHEBI:82782
ChEBI ASCII Name (S)-benalaxyl
Definition A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the less active S-enantiomer of benalaxyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H23NO3
Net Charge 0
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-/m0/s1
InChIKey CJPQIRJHIZUAQP-INIZCTEOSA-N
SMILES COC(=O)[C@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C
ChEBI Ontology
Outgoing (S)-benalaxyl (CHEBI:82782) is a L-alanine derivative (CHEBI:83943)
(S)-benalaxyl (CHEBI:82782) is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CHEBI:82777)
(S)-benalaxyl (CHEBI:82782) is enantiomer of benalaxyl-M (CHEBI:82779)
Incoming benalaxyl (CHEBI:3009) has part (S)-benalaxyl (CHEBI:82782)
benalaxyl-M (CHEBI:82779) is enantiomer of (S)-benalaxyl (CHEBI:82782)
IUPAC Name
methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-L-alaninate
Synonyms Sources
(+)-(S)-benalaxyl ChEBI
(+)-Benalaxyl ChemIDplus
Registry Number Type Source
97716-85-3 CAS Registry Number ChemIDplus
Last Modified
08 January 2015