EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97747 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide

ChEBI IDCHEBI:97747
ChEBI Name2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
Stars
DownloadsMolfile
FormulaC25H28F3N3O6
Net Charge0
Average Mass523.508
Monoisotopic Mass523.19302
SMILESCOCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19-,21-,23+/m0/s1
InChIKeyJDHDHCLBKAEOSQ-RAKJYXHLSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide (CHEBI:97747) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-9126LINCS