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CHEBI:113983 - 2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide

ChEBI IDCHEBI:113983
ChEBI Name2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
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DownloadsMolfile
FormulaC29H33FN2O6S
Net Charge0
Average Mass556.656
Monoisotopic Mass556.20434
SMILESCOc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2ccccc2F)[C@H](C)CN([C@H](C)CO)S3(=O)=O)c1
InChIInChI=1S/C29H33FN2O6S/c1-19-16-32(20(2)18-33)39(35,36)28-13-12-22(21-8-7-9-23(14-21)37-4)15-26(28)38-27(19)17-31(3)29(34)24-10-5-6-11-25(24)30/h5-15,19-20,27,33H,16-18H2,1-4H3/t19-,20-,27+/m1/s1
InChIKeyTXBXSWUOPNBBNR-DVHCVUMVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide (CHEBI:113983) is a carbonyl compound (CHEBI:36586)
2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide (CHEBI:113983) is a organohalogen compound (CHEBI:17792)
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