CHEBI:98947 - 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
ChEBI ID CHEBI:98947
Stars This entity has been manually annotated by a third party.
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Formula C27H33F3N2O5
Net Charge 0
Average Mass 522.558
Monoisotopic Mass 522.23416
InChI InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23+,24+,25-/m0/s1
InChIKey HZAABOSBDYXUMN-KTJVCJKDSA-N
SMILES C1C[C@@H]2[C@H](COC[C@H](CN2CCC(F)(F)F)O)O[C@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4
ChEBI Ontology
Outgoing 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide (CHEBI:98947) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-10326 LINCS
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