EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:117410 - 2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:117410
ChEBI Name2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC25H30FN3O5
Net Charge0
Average Mass471.529
Monoisotopic Mass471.21695
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C25H30FN3O5/c1-29(2)13-24(32)28-17-6-7-21-19(9-17)20-10-18(33-22(14-30)25(20)34-21)11-23(31)27-12-15-4-3-5-16(26)8-15/h3-9,18,20,22,25,30H,10-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,20-,22-,25+/m0/s1
InChIKeyAANFNNZNKVIOFO-XZFMWLAQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:117410) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-28859LINCS