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CHEBI:82789 - (S)-furalaxyl

ChEBI IDCHEBI:82789
ChEBI Name(S)-furalaxyl
Stars
ASCII Name(S)-furalaxyl
DefinitionA methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate that has S configuration.
Last Modified13 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H19NO4
Net Charge0
Average Mass301.342
Monoisotopic Mass301.13141
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccco1)c1c(C)cccc1C
InChIInChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3/t13-/m0/s1
InChIKeyCIEXPHRYOLIQQD-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-furalaxyl (CHEBI:82789) is a L-alanine derivative (CHEBI:83943)
(S)-furalaxyl (CHEBI:82789) is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate (CHEBI:82787)
(S)-furalaxyl (CHEBI:82789) is enantiomer of (R)-furalaxyl (CHEBI:82788)
Incoming Relation(s)
furalaxyl (CHEBI:5194) has part (S)-furalaxyl (CHEBI:82789)
(R)-furalaxyl (CHEBI:82788) is enantiomer of (S)-furalaxyl (CHEBI:82789)
IUPAC Name 
methyl N-(2,6-dimethylphenyl)-N-2-furoyl-L-alaninate
Registry NumbersSources
Reaxys:23956440Reaxys