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CHEBI:101421 - 2-[(3S,6aS,8R,10aS)-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-[(4-phenoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:101421
ChEBI Name2-[(3S,6aS,8R,10aS)-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-[(4-phenoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC27H33F3N2O5
Net Charge0
Average Mass522.564
Monoisotopic Mass522.23416
SMILESO=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23+,24-,25+/m0/s1
InChIKeyHZAABOSBDYXUMN-WQDFSMHNSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8R,10aS)-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-[(4-phenoxyphenyl)methyl]acetamide (CHEBI:101421) is a aromatic ether (CHEBI:35618)
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