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CHEBI:125981 - N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide

ChEBI IDCHEBI:125981
ChEBI NameN-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
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DownloadsMolfile
FormulaC26H31N3O5S
Net Charge0
Average Mass497.617
Monoisotopic Mass497.19844
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)C(=O)C1CC1
InChIInChI=1S/C26H31N3O5S/c1-17-14-29(18(2)16-30)35(32,33)25-10-9-22(21-6-4-5-19(11-21)13-27)12-23(25)34-24(17)15-28(3)26(31)20-7-8-20/h4-6,9-12,17-18,20,24,30H,7-8,14-16H2,1-3H3/t17-,18-,24-/m0/s1
InChIKeyRFBFKJWIMZCTJL-XFAGBWLFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:125981) is a benzenes (CHEBI:22712)
N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:125981) is a nitrile (CHEBI:18379)
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