EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120133 - N-[(2S,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide

ChEBI IDCHEBI:120133
ChEBI NameN-[(2S,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
Stars
DownloadsMolfile
FormulaC20H28FN3O4
Net Charge0
Average Mass393.459
Monoisotopic Mass393.20638
SMILESCN(C)CCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1
InChIInChI=1S/C20H28FN3O4/c1-24(2)11-5-10-22-19(26)12-14-8-9-17(18(13-25)28-14)23-20(27)15-6-3-4-7-16(15)21/h3-4,6-9,14,17-18,25H,5,10-13H2,1-2H3,(H,22,26)(H,23,27)/t14-,17+,18+/m0/s1
InChIKeyXEUNAZXFOLKMJY-BMGDILEWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide (CHEBI:120133) is a carbonyl compound (CHEBI:36586)
N-[(2S,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide (CHEBI:120133) is a organohalogen compound (CHEBI:17792)
Manual XrefsDatabases
LSM-31576LINCS