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CHEBI:96338 - N-[[(4S,5S)-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 IDCHEBI:96338
ChEBI NameN-[[(4S,5S)-8-(2-cyclopropylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-fluoro-N-methylbenzamide
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DownloadsMolfile
FormulaC27H31FN2O5S
Net Charge0
Average Mass514.619
Monoisotopic Mass514.19377
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2cccc(F)c2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O
InChIInChI=1S/C27H31FN2O5S/c1-18-15-30(19(2)17-31)36(33,34)26-12-11-21(10-9-20-7-8-20)13-24(26)35-25(18)16-29(3)27(32)22-5-4-6-23(28)14-22/h4-6,11-14,18-20,25,31H,7-8,15-17H2,1-3H3/t18-,19+,25+/m0/s1
InChIKeyVIOYSSVCFLGZJY-OSWQYVSFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-8-(2-cyclopropylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:96338) is a carbonyl compound (CHEBI:36586)
N-[[(4S,5S)-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:96338) is a organohalogen compound (CHEBI:17792)
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