EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123583 - N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide

ChEBI IDCHEBI:123583
ChEBI NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide
Stars
DownloadsMolfile
FormulaC23H25F2N3O6
Net Charge0
Average Mass477.464
Monoisotopic Mass477.17114
SMILESO=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H25F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-2,4,6-8,15,17,21,29H,3,5,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17+,21+/m0/s1
InChIKeyRFHDZNJROOVZQK-LUQKVYGDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide (CHEBI:123583) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-35025LINCS