CHEBI:129215 - 2-[(3R,6aR,8S,10aR)-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-[(1R)-1-phenylethyl]acetamide

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ChEBI Name 2-[(3R,6aR,8S,10aR)-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-[(1R)-1-phenylethyl]acetamide
ChEBI ID CHEBI:129215
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/c1-18(20-5-3-2-4-6-20)31-26(34)13-23-11-12-24-25(36-23)17-35-16-22(33)15-32(24)14-19-7-9-21(10-8-19)27(28,29)30/h2-10,18,22-25,33H,11-17H2,1H3,(H,31,34)/t18-,22-,23+,24-,25+/m1/s1
InChIKey JNSFRWOELQVFNZ-OYQVZKCKSA-N
SMILES C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC=C(C=C4)C(F)(F)F)O
ChEBI Ontology
Outgoing 2-[(3R,6aR,8S,10aR)-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-[(1R)-1-phenylethyl]acetamide (CHEBI:129215) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
LSM-40766 LINCS
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