N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide (CHEBI:96282)

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CHEBI:96282 - N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide

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ChEBI ID	CHEBI:96282
ChEBI Name	N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
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Downloads	Molfile

Formula	C22H28BrN3O5S
Net Charge	0
Average Mass	526.453
Monoisotopic Mass	525.09330
SMILES	C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)C(=O)Cc1ccccn1
InChI	InChI=1S/C22H28BrN3O5S/c1-15-12-26(16(2)14-27)32(29,30)21-8-7-17(23)10-19(21)31-20(15)13-25(3)22(28)11-18-6-4-5-9-24-18/h4-10,15-16,20,27H,11-14H2,1-3H3/t15-,16-,20-/m0/s1
InChIKey	VNTYMDDKAMTNEX-FTRWYGJKSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide (CHEBI:96282) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-7661	LINCS