EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118012 - 2-[(2S,5R,6R)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide

ChEBI IDCHEBI:118012
ChEBI Name2-[(2S,5R,6R)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC21H24F2N4O4
Net Charge0
Average Mass434.443
Monoisotopic Mass434.17656
SMILESO=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1
InChIInChI=1S/C21H24F2N4O4/c22-13-4-6-16(23)18(9-13)27-21(30)26-17-7-5-15(31-19(17)12-28)10-20(29)25-11-14-3-1-2-8-24-14/h1-4,6,8-9,15,17,19,28H,5,7,10-12H2,(H,25,29)(H2,26,27,30)/t15-,17+,19-/m0/s1
InChIKeyUBYVOLAQIVZNTP-WDYCEAGBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,5R,6R)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide (CHEBI:118012) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29461LINCS