CHEBI:96016 - 3-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-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 3-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
ChEBI ID CHEBI:96016
Stars This entity has been manually annotated by a third party.
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Formula C28H34FN3O4
Net Charge 0
Average Mass 495.587
Monoisotopic Mass 495.25333
InChI InChI=1S/C28H34FN3O4/c1-18(2)8-6-9-21-12-24-26(30-14-21)36-25(19(3)15-32(28(24)35)20(4)17-33)16-31(5)27(34)22-10-7-11-23(29)13-22/h7,10-14,18-20,25,33H,8,15-17H2,1-5H3/t19-,20-,25-/m0/s1
InChIKey DGMJKRBCRMVRNT-RLSLOFABSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCC(C)C)O[C@H]1CN(C)C(=O)C3=CC(=CC=C3)F)[C@@H](C)CO
ChEBI Ontology
Outgoing 3-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide (CHEBI:96016) is a carbonyl compound (CHEBI:36586)
3-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide (CHEBI:96016) is a organohalogen compound (CHEBI:17792)
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