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CHEBI:106207 - (2S)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:106207
ChEBI Name(2S)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC27H34N2O7S
Net Charge0
Average Mass530.643
Monoisotopic Mass530.20867
SMILESCOCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccc3c(c1)OCO3)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
InChIInChI=1S/C27H34N2O7S/c1-19-14-29(20(2)17-30)37(31,32)27-10-8-21(6-5-11-33-4)12-25(27)36-26(19)16-28(3)15-22-7-9-23-24(13-22)35-18-34-23/h7-10,12-13,19-20,26,30H,11,14-18H2,1-4H3/t19-,20+,26-/m1/s1
InChIKeyRYIFWOIJOZENBD-BVFVYWQFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:106207) is a benzodioxoles (CHEBI:38298)
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