CHEBI:106138 - N-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
ChEBI ID CHEBI:106138
Stars This entity has been manually annotated by a third party.
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Formula C18H26BrN3O5
Net Charge 0
Average Mass 444.320
Monoisotopic Mass 443.10558
InChI InChI=1S/C18H26BrN3O5/c1-11-7-22(12(2)9-23)18(25)14-5-13(19)6-20-17(14)27-15(11)8-21(3)16(24)10-26-4/h5-6,11-12,15,23H,7-10H2,1-4H3/t11-,12+,15+/m1/s1
InChIKey SBYAEQQHLNEWQQ-XUJVJEKNSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@H]1CN(C)C(=O)COC)Br)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide (CHEBI:106138) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-17499 LINCS
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