N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:109911)

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CHEBI:109911 - N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide

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ChEBI ID	CHEBI:109911
ChEBI Name	N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide
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Formula	C26H36N4O5S
Net Charge	0
Average Mass	516.664
Monoisotopic Mass	516.24064
SMILES	C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@@H]1CN(C)C(=O)C1CCCCC1
InChI	InChI=1S/C26H36N4O5S/c1-18-14-30(19(2)16-31)36(33,34)25-10-9-21(22-12-27-17-28-13-22)11-23(25)35-24(18)15-29(3)26(32)20-7-5-4-6-8-20/h9-13,17-20,24,31H,4-8,14-16H2,1-3H3/t18-,19+,24-/m1/s1
InChIKey	JHVMXPAASGDEJW-YDIMBITNSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:109911) is a pyrimidines (CHEBI:39447)

Manual Xrefs	Databases
LSM-21338	LINCS