2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide (CHEBI:96590)

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CHEBI:96590 - 2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide

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ChEBI ID	CHEBI:96590
ChEBI Name	2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
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Formula	C26H31FN2O6S
Net Charge	0
Average Mass	518.607
Monoisotopic Mass	518.18869
SMILES	COCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S2(=O)=O
InChI	InChI=1S/C26H31FN2O6S/c1-18-15-29(19(2)17-30)36(32,33)25-12-11-20(8-7-13-34-4)14-23(25)35-24(18)16-28(3)26(31)21-9-5-6-10-22(21)27/h5-6,9-12,14,18-19,24,30H,13,15-17H2,1-4H3/t18-,19+,24-/m0/s1
InChIKey	KBQBGAWQEUXRRY-GLDPYIMESA-N

ChEBI Ontology

Outgoing Relation(s)
	2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide (CHEBI:96590) is a carbonyl compound (CHEBI:36586)
	2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide (CHEBI:96590) is a organohalogen compound (CHEBI:17792)

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