EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97985 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

ChEBI IDCHEBI:97985
ChEBI Name2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
Stars
DownloadsMolfile
FormulaC24H26F3N3O6
Net Charge0
Average Mass509.481
Monoisotopic Mass509.17737
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NCC(F)(F)F)O[C@@H](CO)[C@@H]2O3)cc1
InChIInChI=1S/C24H26F3N3O6/c1-34-15-5-2-13(3-6-15)29-23(33)30-14-4-7-19-17(8-14)18-9-16(35-20(11-31)22(18)36-19)10-21(32)28-12-24(25,26)27/h2-8,16,18,20,22,31H,9-12H2,1H3,(H,28,32)(H2,29,30,33)/t16-,18-,20-,22+/m0/s1
InChIKeySPGVKSWBRQENOP-JXYHXMIBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:97985) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-9364LINCS