CHEBI:106146 - N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzamide
ChEBI ID CHEBI:106146
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H25BrFN3O4
Net Charge 0
Average Mass 494.354
Monoisotopic Mass 493.10125
InChI InChI=1S/C22H25BrFN3O4/c1-13-10-27(14(2)12-28)22(30)18-8-16(23)9-25-20(18)31-19(13)11-26(3)21(29)15-4-6-17(24)7-5-15/h4-9,13-14,19,28H,10-12H2,1-3H3/t13-,14-,19-/m1/s1
InChIKey WRXISDPBFZAALF-PJIJBLCYSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)C(=O)C3=CC=C(C=C3)F)Br)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:106146) is a carbonyl compound (CHEBI:36586)
N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:106146) is a organohalogen compound (CHEBI:17792)
Manual Xref Database
LSM-17507 LINCS
View more database links