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CHEBI:97969 - 2-[(3S,6aS,8S,10aS)-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-(2-pyridin-4-ylethyl)acetamide

ChEBI IDCHEBI:97969
ChEBI Name2-[(3S,6aS,8S,10aS)-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-(2-pyridin-4-ylethyl)acetamide
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DownloadsMolfile
FormulaC26H32F3N3O4
Net Charge0
Average Mass507.553
Monoisotopic Mass507.23449
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1
InChIInChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22-,23-,24+/m0/s1
InChIKeyQCHQNBIYSRQADD-NEWJYFPISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8S,10aS)-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-(2-pyridin-4-ylethyl)acetamide (CHEBI:97969) is a (trifluoromethyl)benzenes (CHEBI:83565)
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LSM-9348LINCS