N-[[(4S,5R)-8-(2-cyclopropylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:95500)

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CHEBI:95500 - N-[[(4S,5R)-8-(2-cyclopropylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-fluoro-N-methylbenzamide

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ChEBI ID	CHEBI:95500
ChEBI Name	N-[[(4S,5R)-8-(2-cyclopropylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-fluoro-N-methylbenzamide
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Downloads	Molfile

Formula	C27H31FN2O5S
Net Charge	0
Average Mass	514.619
Monoisotopic Mass	514.19377
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2cccc(F)c2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O
InChI	InChI=1S/C27H31FN2O5S/c1-18-15-30(19(2)17-31)36(33,34)26-12-11-21(10-9-20-7-8-20)13-24(26)35-25(18)16-29(3)27(32)22-5-4-6-23(28)14-22/h4-6,11-14,18-20,25,31H,7-8,15-17H2,1-3H3/t18-,19+,25-/m0/s1
InChIKey	VIOYSSVCFLGZJY-CEYNDMKZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-8-(2-cyclopropylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:95500) is a carbonyl compound (CHEBI:36586)
	N-[[(4S,5R)-8-(2-cyclopropylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:95500) is a organohalogen compound (CHEBI:17792)

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