CHEBI:129162 - 2-[(3R,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

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ChEBI Name 2-[(3R,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 ID CHEBI:129162
Stars This entity has been manually annotated by a third party.
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Formula C27H33F3N2O4
Net Charge 0
Average Mass 506.558
Monoisotopic Mass 506.23924
InChI InChI=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-/m1/s1
InChIKey XXGNHNVGQFEGME-WSOYEBOPSA-N
SMILES C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=CC=C4
ChEBI Ontology
Outgoing 2-[(3R,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:129162) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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