N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:96419)

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CHEBI:96419 - N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

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ChEBI ID	CHEBI:96419
ChEBI Name	N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
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Downloads	Molfile

Formula	C27H33FN2O5S
Net Charge	0
Average Mass	516.635
Monoisotopic Mass	516.20942
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccc(F)cc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O
InChI	InChI=1S/C27H33FN2O5S/c1-18-15-30(19(2)17-31)36(33,34)26-13-10-22(20-6-4-5-7-20)14-24(26)35-25(18)16-29(3)27(32)21-8-11-23(28)12-9-21/h6,8-14,18-19,25,31H,4-5,7,15-17H2,1-3H3/t18-,19+,25+/m0/s1
InChIKey	KAJKYFHMOFZFFV-OSWQYVSFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:96419) is a carbonyl compound (CHEBI:36586)
	N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:96419) is a organohalogen compound (CHEBI:17792)

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