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CHEBI:96162 - 2-[[[(2R,3S)-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-methylamino]methyl]benzoic acid

ChEBI IDCHEBI:96162
ChEBI Name2-[[[(2R,3S)-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-methylamino]methyl]benzoic acid
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DownloadsMolfile
FormulaC23H28BrN3O5
Net Charge0
Average Mass506.397
Monoisotopic Mass505.12123
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(Br)cnc2O[C@H]1CN(C)Cc1ccccc1C(=O)O
InChIInChI=1S/C23H28BrN3O5/c1-14-10-27(15(2)13-28)22(29)19-8-17(24)9-25-21(19)32-20(14)12-26(3)11-16-6-4-5-7-18(16)23(30)31/h4-9,14-15,20,28H,10-13H2,1-3H3,(H,30,31)/t14-,15-,20-/m0/s1
InChIKeyNTJUTHLQVNPFFN-AVYPCKFXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[[[(2R,3S)-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-methylamino]methyl]benzoic acid (CHEBI:96162) is a benzoic acids (CHEBI:22723)
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