1-[[(4R,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]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:96622)

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CHEBI:96622 - 1-[[(4R,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]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

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ChEBI ID	CHEBI:96622
ChEBI Name	1-[[(4R,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]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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Formula	C23H27BrF3N3O5S
Net Charge	0
Average Mass	594.450
Monoisotopic Mass	593.08069
SMILES	C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C23H27BrF3N3O5S/c1-14-11-30(15(2)13-31)36(33,34)21-9-6-17(24)10-19(21)35-20(14)12-29(3)22(32)28-18-7-4-16(5-8-18)23(25,26)27/h4-10,14-15,20,31H,11-13H2,1-3H3,(H,28,32)/t14-,15-,20-/m1/s1
InChIKey	YXMZKKBYJQSMSA-STXHMFSFSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(4R,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]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:96622) is a ureas (CHEBI:47857)

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LSM-8001	LINCS