(2R)-2-[(4R,5R)-8-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:129908)

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CHEBI:129908 - (2R)-2-[(4R,5R)-8-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:129908
ChEBI Name	(2R)-2-[(4R,5R)-8-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C22H30N2O5S
Net Charge	0
Average Mass	434.558
Monoisotopic Mass	434.18754
SMILES	CNC[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChI	InChI=1S/C22H30N2O5S/c1-15-13-24(16(2)14-25)30(26,27)22-10-9-17(11-20(22)29-21(15)12-23-3)18-7-5-6-8-19(18)28-4/h5-11,15-16,21,23,25H,12-14H2,1-4H3/t15-,16-,21+/m1/s1
InChIKey	JZQFKZVEVPOAGL-ZOCZFRKYSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4R,5R)-8-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:129908) is a methoxybenzenes (CHEBI:51683)

Manual Xrefs	Databases
LSM-41459	LINCS