3-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide (CHEBI:119526)

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CHEBI:119526 - 3-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide

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ChEBI ID	CHEBI:119526
ChEBI Name	3-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
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Formula	C24H33N3O5S
Net Charge	0
Average Mass	475.611
Monoisotopic Mass	475.21409
SMILES	CNC[C@H]1Oc2cc(-c3cccc(C(=O)N(C)C)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C24H33N3O5S/c1-16-14-27(17(2)15-28)33(30,31)23-10-9-19(12-21(23)32-22(16)13-25-3)18-7-6-8-20(11-18)24(29)26(4)5/h6-12,16-17,22,25,28H,13-15H2,1-5H3/t16-,17+,22-/m1/s1
InChIKey	BXSLUDILSQPBHO-HYFFOGBASA-N

ChEBI Ontology

Outgoing Relation(s)
	3-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide (CHEBI:119526) is a benzamides (CHEBI:22702)

Manual Xrefs	Databases
LSM-30973	LINCS