CHEBI:114034 - N-[[(2R,3S)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide

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ChEBI Name N-[[(2R,3S)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
ChEBI ID CHEBI:114034
Stars This entity has been manually annotated by a third party.
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Formula C25H28FN3O4
Net Charge 0
Average Mass 453.507
Monoisotopic Mass 453.20638
InChI InChI=1S/C25H28FN3O4/c1-16-13-29(17(2)15-30)25(32)22-11-20(6-5-19-7-9-21(26)10-8-19)12-27-24(22)33-23(16)14-28(4)18(3)31/h7-12,16-17,23,30H,13-15H2,1-4H3/t16-,17+,23-/m0/s1
InChIKey XVANEVHAXZLZTM-MFEFFIJZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=C(C=C3)F)O[C@H]1CN(C)C(=O)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3S)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:114034) is a organofluorine compound (CHEBI:37143)
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