3-fluoro-N-[[(4R,5R)-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-methylbenzamide (CHEBI:119505)

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CHEBI:119505 - 3-fluoro-N-[[(4R,5R)-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-methylbenzamide

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ChEBI ID	CHEBI:119505
ChEBI Name	3-fluoro-N-[[(4R,5R)-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-methylbenzamide
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Downloads	Molfile

Formula	C26H29FN4O5S
Net Charge	0
Average Mass	528.606
Monoisotopic Mass	528.18427
SMILES	C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)C(=O)c1cccc(F)c1
InChI	InChI=1S/C26H29FN4O5S/c1-17-13-31(18(2)15-32)37(34,35)25-8-7-19(21-11-28-16-29-12-21)10-23(25)36-24(17)14-30(3)26(33)20-5-4-6-22(27)9-20/h4-12,16-18,24,32H,13-15H2,1-3H3/t17-,18+,24+/m1/s1
InChIKey	YKMJVYSWBOXOTH-YTZAWJCFSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-fluoro-N-[[(4R,5R)-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-methylbenzamide (CHEBI:119505) is a pyrimidines (CHEBI:39447)

Manual Xrefs	Databases
LSM-30952	LINCS