EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192679 - Boc-beta-cyano-L-alanine

ChEBI IDCHEBI:192679
ChEBI NameBoc-beta-cyano-L-alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14N2O4
Net Charge0
Average Mass214.221
Monoisotopic Mass214.09536
SMILESCC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKeyIVKMLPKBZQTAMQ-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
Boc-beta-cyano-L-alanine (CHEBI:192679) has functional parent α-amino acid (CHEBI:33704)
Boc-beta-cyano-L-alanine (CHEBI:192679) is a organonitrogen compound (CHEBI:35352)
Boc-beta-cyano-L-alanine (CHEBI:192679) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Manual XrefsDatabases
5382830ChemSpider