CHEBI:106240 - N-[[(2R,3S)-8-[2-(3-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-methylmethanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2R,3S)-8-[2-(3-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-methylmethanesulfonamide
ChEBI ID CHEBI:106240
Stars This entity has been manually annotated by a third party.
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Formula C24H28FN3O5S
Net Charge 0
Average Mass 489.562
Monoisotopic Mass 489.17337
InChI InChI=1S/C24H28FN3O5S/c1-16-13-28(17(2)15-29)24(30)21-11-19(9-8-18-6-5-7-20(25)10-18)12-26-23(21)33-22(16)14-27(3)34(4,31)32/h5-7,10-12,16-17,22,29H,13-15H2,1-4H3/t16-,17+,22-/m0/s1
InChIKey XOGNINPAOVJVSL-JKSBSHDWSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC(=CC=C3)F)O[C@H]1CN(C)S(=O)(=O)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3S)-8-[2-(3-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-methylmethanesulfonamide (CHEBI:106240) is a organofluorine compound (CHEBI:37143)
Manual Xref Database
LSM-17601 LINCS
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