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CHEBI:127393 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide

ChEBI IDCHEBI:127393
ChEBI Name2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide
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DownloadsMolfile
FormulaC25H30F3N3O4
Net Charge0
Average Mass493.526
Monoisotopic Mass493.21884
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1
InChIInChI=1S/C25H30F3N3O4/c26-25(27,28)19-3-1-2-18(10-19)13-31-14-20(32)15-34-16-23-22(31)5-4-21(35-23)11-24(33)30-12-17-6-8-29-9-7-17/h1-3,6-10,20-23,32H,4-5,11-16H2,(H,30,33)/t20-,21+,22-,23+/m1/s1
InChIKeyBKDRKWVRDLNVBB-ACESQOTJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:127393) is a (trifluoromethyl)benzenes (CHEBI:83565)
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