EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102548 - 2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide

ChEBI IDCHEBI:102548
ChEBI Name2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
Stars
DownloadsMolfile
FormulaC28H29FN2O6S
Net Charge0
Average Mass540.613
Monoisotopic Mass540.17304
SMILESC[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1
InChIInChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26+,28-/m1/s1
InChIKeySUQCIPRCFCPKOO-RXYIMMQSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide (CHEBI:102548) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-13895LINCS