CHEBI:102309 - 2-[(3R,6aR,8S,10aR)-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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ChEBI Name 2-[(3R,6aR,8S,10aR)-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 ID CHEBI:102309
Stars This entity has been manually annotated by a third party.
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Formula C26H32F3N3O4
Net Charge 0
Average Mass 507.546
Monoisotopic Mass 507.23449
InChI InChI=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+/m1/s1
InChIKey QCHQNBIYSRQADD-QPXUXIHVSA-N
SMILES C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4
ChEBI Ontology
Outgoing 2-[(3R,6aR,8S,10aR)-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:102309) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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