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CHEBI:129782 - 2-[(3S,6aS,8S,10aS)-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-(2-phenylethyl)acetamide

ChEBI IDCHEBI:129782
ChEBI Name2-[(3S,6aS,8S,10aS)-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-(2-phenylethyl)acetamide
Stars
DownloadsMolfile
FormulaC27H33F3N2O4
Net Charge0
Average Mass506.565
Monoisotopic Mass506.23924
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)NCCc1ccccc1
InChIInChI=1S/C27H33F3N2O4/c28-27(29,30)21-8-6-20(7-9-21)15-32-16-22(33)17-35-18-25-24(32)11-10-23(36-25)14-26(34)31-13-12-19-4-2-1-3-5-19/h1-9,22-25,33H,10-18H2,(H,31,34)/t22-,23-,24-,25+/m0/s1
InChIKeyXXGNHNVGQFEGME-OJJQZRKESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8S,10aS)-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-(2-phenylethyl)acetamide (CHEBI:129782) is a (trifluoromethyl)benzenes (CHEBI:83565)
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