N-[[(4S,5R)-2-[(2R)-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:110053)

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CHEBI:110053 - N-[[(4S,5R)-2-[(2R)-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:110053
ChEBI Name	N-[[(4S,5R)-2-[(2R)-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](CO)N1C[C@H](C)[C@H](CN(C)C(=O)C2CCCCC2)Oc2cc(-c3cncnc3)ccc2S1(=O)=O
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-/m0/s1
InChIKey	JHVMXPAASGDEJW-GLDPYIMESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-2-[(2R)-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:110053) is a pyrimidines (CHEBI:39447)

Manual Xrefs	Databases
LSM-21480	LINCS