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CHEBI:117552 - N-[(1S,3R,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]-2-cyclopropylacetamide

ChEBI IDCHEBI:117552
ChEBI NameN-[(1S,3R,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]-2-cyclopropylacetamide
Stars
DownloadsMolfile
FormulaC21H25F3N2O5
Net Charge0
Average Mass442.434
Monoisotopic Mass442.17156
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F
InChIInChI=1S/C21H25F3N2O5/c22-21(23,24)10-25-18(28)8-13-7-15-14-6-12(26-19(29)5-11-1-2-11)3-4-16(14)31-20(15)17(9-27)30-13/h3-4,6,11,13,15,17,20,27H,1-2,5,7-10H2,(H,25,28)(H,26,29)/t13-,15+,17+,20-/m1/s1
InChIKeyPIWWRJKYNWMMLJ-GKTLAZJLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3R,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]-2-cyclopropylacetamide (CHEBI:117552) is a furopyran (CHEBI:74927)
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