CHEBI:119585 - 2-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
ChEBI ID CHEBI:119585
Stars This entity has been manually annotated by a third party.
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Formula C29H29FN4O4
Net Charge 0
Average Mass 516.564
Monoisotopic Mass 516.21728
InChI InChI=1S/C29H29FN4O4/c1-19-16-34(20(2)18-35)29(37)24-14-22(9-8-21-10-12-31-13-11-21)15-32-27(24)38-26(19)17-33(3)28(36)23-6-4-5-7-25(23)30/h4-7,10-15,19-20,26,35H,16-18H2,1-3H3/t19-,20+,26+/m0/s1
InChIKey WLIQRYRMKDXINK-OUDXUNEISA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@@H]1CN(C)C(=O)C4=CC=CC=C4F)[C@H](C)CO
ChEBI Ontology
Outgoing 2-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide (CHEBI:119585) is a carbonyl compound (CHEBI:36586)
2-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide (CHEBI:119585) is a organohalogen compound (CHEBI:17792)
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