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CHEBI:82782 - (S)-benalaxyl

ChEBI IDCHEBI:82782
ChEBI Name(S)-benalaxyl
Stars
ASCII Name(S)-benalaxyl
DefinitionA methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the less active S-enantiomer of benalaxyl.
Last Modified8 January 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-/m0/s1
InChIKeyCJPQIRJHIZUAQP-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
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  Source
(+)-BenalaxylChemIDplus
(+)-(S)-benalaxylChEBI
Registry NumbersSources
CAS:97716-85-3ChemIDplus