EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97692 - 2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide

ChEBI IDCHEBI:97692
ChEBI Name2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
Stars
DownloadsMolfile
FormulaC24H35N3O5
Net Charge0
Average Mass445.560
Monoisotopic Mass445.25767
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19+,21-,24-/m0/s1
InChIKeyKRQAAGOFZVBHDO-PMSBSAKUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide (CHEBI:97692) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-9071LINCS