CHEBI:113902 - N-[[(2S,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]-N,4-dimethylbenzenesulfonamide

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ChEBI Name N-[[(2S,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]-N,4-dimethylbenzenesulfonamide
ChEBI ID CHEBI:113902
Stars This entity has been manually annotated by a third party.
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Formula C22H28BrN3O5S
Net Charge 0
Average Mass 526.445
Monoisotopic Mass 525.093
InChI InChI=1S/C22H28BrN3O5S/c1-14-5-7-18(8-6-14)32(29,30)25(4)12-20-15(2)11-26(16(3)13-27)22(28)19-9-17(23)10-24-21(19)31-20/h5-10,15-16,20,27H,11-13H2,1-4H3/t15-,16-,20+/m0/s1
InChIKey RBKHQDVGCDKRON-TWOQFEAHSA-N
SMILES C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)C)Br)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,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]-N,4-dimethylbenzenesulfonamide (CHEBI:113902) is a sulfonamide (CHEBI:35358)
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