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CHEBI:102530 - N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:102530
ChEBI NameN-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC22H22F3N3O5
Net Charge0
Average Mass465.428
Monoisotopic Mass465.15116
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F
InChIInChI=1S/C22H22F3N3O5/c23-22(24,25)11-27-19(30)8-14-7-16-15-6-13(28-21(31)12-2-1-5-26-9-12)3-4-17(15)33-20(16)18(10-29)32-14/h1-6,9,14,16,18,20,29H,7-8,10-11H2,(H,27,30)(H,28,31)/t14-,16-,18-,20+/m1/s1
InChIKeyILIPRRONQGJVHL-ODZKNYGOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:102530) is a furopyran (CHEBI:74927)
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