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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
ChEBI ID CHEBI:128314
Stars This entity has been manually annotated by a third party.
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Formula C28H32BrN3O4
Net Charge 0
Average Mass 554.476
Monoisotopic Mass 553.15762
InChI InChI=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
InChIKey KKXMOCLEUFUTQS-BVFVYWQFSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)Br)[C@@H](C)CO
ChEBI Ontology
Outgoing (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 Xref Database
LSM-39869 LINCS
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