CHEBI:126588 - 2-[(3R,6aS,8S,10aS)-1-[(4-fluorophenyl)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-[(3R,6aS,8S,10aS)-1-[(4-fluorophenyl)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:126588 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H33FN2O4 Net Charge 0 Average Mass 468.561 Monoisotopic Mass 468.24244 InChI InChI=1S/C27H33FN2O4/c28-22-7-5-19(6-8-22)14-30-16-23(31)17-33-18-26-25(30)10-9-24(34-26)13-27(32)29-12-11-20-3-1-2-4-21(20)15-29/h1-8,23-26,31H,9-18H2/t23-,24+,25+,26-/m1/s1 InChIKey KNZMNGHBCOUWJQ-KEVKATSASA-N SMILES C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=C(C=C3)F)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4 ChEBI Ontology Outgoing 2-[(3R,6aS,8S,10aS)-1-[(4-fluorophenyl)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:126588) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-38152 LINCS View more database links