EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:128314 - (2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:128314
ChEBI Name(2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Stars
DownloadsMolfile
FormulaC28H32BrN3O4
Net Charge0
Average Mass554.485
Monoisotopic Mass553.15762
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(Br)cnc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C28H32BrN3O4/c1-19-15-32(20(2)18-33)28(34)25-13-22(29)14-30-27(25)36-26(19)17-31(3)16-21-9-11-24(12-10-21)35-23-7-5-4-6-8-23/h4-14,19-20,26,33H,15-18H2,1-3H3/t19-,20+,26-/m1/s1
InChIKeyKKXMOCLEUFUTQS-BVFVYWQFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:128314) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-39869LINCS