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CHEBI:128301 - N-[[(4R,5S)-8-(1-cyclohexenyl)-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 IDCHEBI:128301
ChEBI NameN-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
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FormulaC28H35FN2O5S
Net Charge0
Average Mass530.662
Monoisotopic Mass530.22507
SMILESC[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C28H35FN2O5S/c1-19-16-31(20(2)18-32)37(34,35)27-14-11-23(21-7-5-4-6-8-21)15-25(27)36-26(19)17-30(3)28(33)22-9-12-24(29)13-10-22/h7,9-15,19-20,26,32H,4-6,8,16-18H2,1-3H3/t19-,20-,26-/m1/s1
InChIKeyGJXITPCKIIOKJV-XMERXJNXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:128301) is a carbonyl compound (CHEBI:36586)
N-[[(4R,5S)-8-(1-cyclohexenyl)-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:128301) is a organohalogen compound (CHEBI:17792)
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