(2S)-2-[(4S,5S)-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:127471)

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CHEBI:127471 - (2S)-2-[(4S,5S)-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:127471
ChEBI Name	(2S)-2-[(4S,5S)-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+/m0/s1
InChIKey	JZQFKZVEVPOAGL-CKJXQJPGSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[(4S,5S)-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:127471) is a methoxybenzenes (CHEBI:51683)

Manual Xrefs	Databases
LSM-39029	LINCS