(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:128725)

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CHEBI:128725 - (2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:128725
ChEBI Name	(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C27H37N3O4S
Net Charge	0
Average Mass	499.677
Monoisotopic Mass	499.25048
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChI	InChI=1S/C27H37N3O4S/c1-20-16-30(21(2)19-31)35(32,33)27-13-12-23(22-9-5-4-6-10-22)15-25(27)34-26(20)18-29(3)17-24-11-7-8-14-28-24/h7-9,11-15,20-21,26,31H,4-6,10,16-19H2,1-3H3/t20-,21+,26-/m0/s1
InChIKey	QSEJYNGOCYTBNI-UZINWLIJSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:128725) is a aminoalkylpyridine (CHEBI:38198)

Manual Xrefs	Databases
LSM-40279	LINCS