N-[[(4S,5S)-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-3-(1-piperidinyl)propanamide (CHEBI:119571)

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CHEBI:119571 - N-[[(4S,5S)-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-3-(1-piperidinyl)propanamide

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ChEBI ID	CHEBI:119571
ChEBI Name	N-[[(4S,5S)-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-3-(1-piperidinyl)propanamide
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Formula	C23H36BrN3O5S
Net Charge	0
Average Mass	546.528
Monoisotopic Mass	545.15590
SMILES	C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C(=O)CCN1CCCCC1
InChI	InChI=1S/C23H36BrN3O5S/c1-17-14-27(18(2)16-28)33(30,31)22-8-7-19(24)13-20(22)32-21(17)15-25(3)23(29)9-12-26-10-5-4-6-11-26/h7-8,13,17-18,21,28H,4-6,9-12,14-16H2,1-3H3/t17-,18-,21+/m0/s1
InChIKey	QFNUSQGYMOISEO-BBTUJRGHSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide (CHEBI:119571) has functional parent β-amino acid (CHEBI:33706)
	N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide (CHEBI:119571) is a organonitrogen compound (CHEBI:35352)
	N-[[(4S,5S)-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-3-(1-piperidinyl)propanamide (CHEBI:119571) is a organooxygen compound (CHEBI:36963)

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