CHEBI:129534 - 2-[(3S,6aS,8R,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

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ChEBI Name 2-[(3S,6aS,8R,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
ChEBI ID CHEBI:129534
Stars This entity has been manually annotated by a third party.
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Formula C27H32F2N2O4
Net Charge 0
Average Mass 486.552
Monoisotopic Mass 486.23301
InChI InChI=1S/C27H32F2N2O4/c28-21-5-7-24(29)20(11-21)14-31-15-22(32)16-34-17-26-25(31)8-6-23(35-26)12-27(33)30-10-9-18-3-1-2-4-19(18)13-30/h1-5,7,11,22-23,25-26,32H,6,8-10,12-17H2/t22-,23+,25-,26+/m0/s1
InChIKey OFDCMTXAJHTHOC-ALNDXVPUSA-N
SMILES C1C[C@H]2[C@@H](COC[C@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@H]1CC(=O)N4CCC5=CC=CC=C5C4
ChEBI Ontology
Outgoing 2-[(3S,6aS,8R,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:129534) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-41085 LINCS
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