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CHEBI:96167 - N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96167
ChEBI NameN-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC26H34N2O8S2
Net Charge0
Average Mass566.698
Monoisotopic Mass566.17566
SMILESCOCC#Cc1ccc2c(c1)O[C@@H](CN(C)S(=O)(=O)c1ccc(OC)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O
InChIInChI=1S/C26H34N2O8S2/c1-19-16-28(20(2)18-29)38(32,33)26-13-8-21(7-6-14-34-4)15-24(26)36-25(19)17-27(3)37(30,31)23-11-9-22(35-5)10-12-23/h8-13,15,19-20,25,29H,14,16-18H2,1-5H3/t19-,20-,25-/m0/s1
InChIKeyNHORSMPXTAJMFN-RLSLOFABSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:96167) is a sulfonamide (CHEBI:35358)
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