EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119031 - N-[2-[(2R,5S,6R)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:119031
ChEBI NameN-[2-[(2R,5S,6R)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
Stars
DownloadsMolfile
FormulaC23H25FN2O6
Net Charge0
Average Mass444.459
Monoisotopic Mass444.16966
SMILESO=C(NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H25FN2O6/c24-17-4-2-1-3-16(17)23(29)26-18-7-6-15(32-21(18)12-27)9-10-25-22(28)14-5-8-19-20(11-14)31-13-30-19/h1-5,8,11,15,18,21,27H,6-7,9-10,12-13H2,(H,25,28)(H,26,29)/t15-,18+,21+/m1/s1
InChIKeyDNUVWNCDCIVCLB-YWMUFLPLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-[(2R,5S,6R)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide (CHEBI:119031) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-30480LINCS