N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:128080)

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CHEBI:128080 - N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide

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ChEBI ID	CHEBI:128080
ChEBI Name	N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide
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Formula	C27H40N2O5S
Net Charge	0
Average Mass	504.693
Monoisotopic Mass	504.26579
SMILES	C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCCCC1
InChI	InChI=1S/C27H40N2O5S/c1-19-16-29(20(2)18-30)35(32,33)26-14-13-23(21-9-7-8-10-21)15-24(26)34-25(19)17-28(3)27(31)22-11-5-4-6-12-22/h9,13-15,19-20,22,25,30H,4-8,10-12,16-18H2,1-3H3/t19-,20-,25+/m1/s1
InChIKey	BAVJOCCOTRWQAG-FHAGJXEFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:128080) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-39636	LINCS