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

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ChEBI Name 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 ID CHEBI:96162 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H28BrN3O5 Net Charge 0 Average Mass 506.390 Monoisotopic Mass 505.12123 InChI InChI=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 InChIKey NTJUTHLQVNPFFN-AVYPCKFXSA-N SMILES C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@H]1CN(C)CC3=CC=CC=C3C(=O)O)Br)[C@@H](C)CO Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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) Manual Xref Database LSM-7541 LINCS View more database links