EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201746 - CBM 301940

Default Structure
ChEBI IDCHEBI:201746
ChEBI NameCBM 301940
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22F6N2O5
Net Charge0
Average Mass424.338
Monoisotopic Mass424.14329
SMILESCC(CCOC(C)(C)(C)=O)NC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C15H22F6N2O5/c1-8(5-6-27-15(2,3,4)26)22-11(24)9-7-10(28-23-9)12(25,13(16,17)18)14(19,20)21/h8,10,25H,5-7H2,1-4H3,(H,22,24)
InChIKeyOHWSIRMKVBKSFT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
CBM 301940 (CHEBI:201746) has functional parent β-amino acid (CHEBI:33706)
CBM 301940 (CHEBI:201746) is a organonitrogen compound (CHEBI:35352)
CBM 301940 (CHEBI:201746) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
tert-butyl 3-[[5-(1,1,1,3,3,3-hexaluoro-2-hydroxypropan-2-yl)-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
Manual XrefsDatabases
8562931ChemSpider