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CHEBI:125951 - 3-[(2S,3R)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile

ChEBI IDCHEBI:125951
ChEBI Name3-[(2S,3R)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile
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FormulaC29H31FN4O3
Net Charge0
Average Mass502.590
Monoisotopic Mass502.23802
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cccc(C#N)c3)cnc2O[C@@H]1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C29H31FN4O3/c1-19-15-34(20(2)18-35)29(36)26-12-24(23-6-4-5-22(11-23)13-31)14-32-28(26)37-27(19)17-33(3)16-21-7-9-25(30)10-8-21/h4-12,14,19-20,27,35H,15-18H2,1-3H3/t19-,20-,27-/m1/s1
InChIKeyWSCXCCZAXFYMKM-SEXOINJZSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2S,3R)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile (CHEBI:125951) is a phenylpyridine (CHEBI:38193)
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