CHEBI:106204 - N-[[(4S,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(4S,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
ChEBI ID CHEBI:106204
Stars This entity has been manually annotated by a third party.
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Formula C22H26BrFN2O5S
Net Charge 0
Average Mass 529.421
Monoisotopic Mass 528.07298
InChI InChI=1S/C22H26BrFN2O5S/c1-14-11-26(15(2)13-27)32(29,30)21-9-6-17(23)10-19(21)31-20(14)12-25(3)22(28)16-4-7-18(24)8-5-16/h4-10,14-15,20,27H,11-13H2,1-3H3/t14-,15+,20+/m0/s1
InChIKey TWAZXZQUDIIERC-BXTJHSDWSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@@H]1CN(C)C(=O)C3=CC=C(C=C3)F)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(4S,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:106204) is a carbonyl compound (CHEBI:36586)
N-[[(4S,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:106204) is a organohalogen compound (CHEBI:17792)
Manual Xref Database
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