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CHEBI:128832 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide

ChEBI IDCHEBI:128832
ChEBI Name2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
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DownloadsMolfile
FormulaC20H27F3N2O4
Net Charge0
Average Mass416.440
Monoisotopic Mass416.19229
SMILESCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C20H27F3N2O4/c1-24-19(27)8-16-6-7-17-18(29-16)12-28-11-15(26)10-25(17)9-13-2-4-14(5-3-13)20(21,22)23/h2-5,15-18,26H,6-12H2,1H3,(H,24,27)/t15-,16+,17-,18+/m1/s1
InChIKeyASSXVYPZZYSLKB-XDNAFOTISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide (CHEBI:128832) is a (trifluoromethyl)benzenes (CHEBI:83565)
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