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)

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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

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ChEBI ID	CHEBI:106204
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
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Downloads	Molfile

Formula	C22H26BrFN2O5S
Net Charge	0
Average Mass	529.428
Monoisotopic Mass	528.07298
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccc(F)cc2)Oc2cc(Br)ccc2S1(=O)=O
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

ChEBI Ontology

Outgoing Relation(s)
	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)

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