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CHEBI:106232 - (2R,3R)-8-bromo-5-[(2S)-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 IDCHEBI:106232
ChEBI Name(2R,3R)-8-bromo-5-[(2S)-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
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FormulaC21H27BrN4O3
Net Charge0
Average Mass463.376
Monoisotopic Mass462.12665
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(Br)cnc2O[C@H]1CN(C)Cc1cccnc1
InChIInChI=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
InChIKeyCNDBXNGNOXPHBO-VCBZYWHSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-8-bromo-5-[(2S)-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:106232) is a aromatic ether (CHEBI:35618)
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