EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118433 - 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide

ChEBI IDCHEBI:118433
ChEBI Name2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
Stars
DownloadsMolfile
FormulaC21H26FN3O5S
Net Charge0
Average Mass451.520
Monoisotopic Mass451.15772
SMILESO=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1
InChIInChI=1S/C21H26FN3O5S/c22-16-1-4-18(5-2-16)31(28,29)25-19-6-3-17(30-20(19)14-26)13-21(27)24-12-9-15-7-10-23-11-8-15/h1-2,4-5,7-8,10-11,17,19-20,25-26H,3,6,9,12-14H2,(H,24,27)/t17-,19+,20+/m0/s1
InChIKeyDSHMBJFFZMCEDJ-DFQSSKMNSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:118433) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29882LINCS