CHEBI:106098 - (2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)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 (2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:106098
Stars This entity has been manually annotated by a third party.
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Formula C21H27BrN4O3
Net Charge 0
Average Mass 463.368
Monoisotopic Mass 462.12665
InChI InChI=1S/C21H27BrN4O3/c1-14-10-26(15(2)13-27)21(28)18-7-17(22)9-24-20(18)29-19(14)12-25(3)11-16-5-4-6-23-8-16/h4-9,14-15,19,27H,10-13H2,1-3H3/t14-,15-,19+/m1/s1
InChIKey CNDBXNGNOXPHBO-CLCXKQKWSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@H]1CN(C)CC3=CN=CC=C3)Br)[C@H](C)CO
ChEBI Ontology
Outgoing (2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106098) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-17459 LINCS
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