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CHEBI:100570 - N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:100570
ChEBI NameN-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
Stars
DownloadsMolfile
FormulaC22H27F3N2O6
Net Charge0
Average Mass472.460
Monoisotopic Mass472.18212
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F
InChIInChI=1S/C22H27F3N2O6/c23-22(24,25)11-26-19(29)9-14-8-16-15-7-13(27-21(30)12-3-5-31-6-4-12)1-2-17(15)33-20(16)18(10-28)32-14/h1-2,7,12,14,16,18,20,28H,3-6,8-11H2,(H,26,29)(H,27,30)/t14-,16-,18-,20+/m0/s1
InChIKeyQSBPACLFOOFXHF-PFSLXQJOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:100570) is a furopyran (CHEBI:74927)
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