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CHEBI:97740 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide

ChEBI IDCHEBI:97740
ChEBI Name2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
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DownloadsMolfile
FormulaC21H35F3N2O4
Net Charge0
Average Mass436.515
Monoisotopic Mass436.25489
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1
InChIInChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17+,18-,19+/m1/s1
InChIKeyLOZCXWBJFMLABO-HCXYKTFWSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide (CHEBI:97740) is a oxanes (CHEBI:46942)
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