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CHEBI:130945 - (2S)-2-[(4R,5R)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:130945
ChEBI Name(2S)-2-[(4R,5R)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC26H35N3O4S
Net Charge0
Average Mass485.650
Monoisotopic Mass485.23483
SMILESCCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
InChIInChI=1S/C26H35N3O4S/c1-5-6-7-8-22-9-10-26-24(15-22)33-25(18-28(4)17-23-11-13-27-14-12-23)20(2)16-29(21(3)19-30)34(26,31)32/h9-15,20-21,25,30H,5-6,16-19H2,1-4H3/t20-,21+,25+/m1/s1
InChIKeyURZYNBCGNXSORA-CZSZKKDXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4R,5R)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130945) is a aromatic ether (CHEBI:35618)
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