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CHEBI:95740 - (2S)-2-[(4S,5S)-4-methyl-5-[[methyl(4-oxanylmethyl)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:95740
ChEBI Name(2S)-2-[(4S,5S)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC26H40N2O5S
Net Charge0
Average Mass492.682
Monoisotopic Mass492.26579
SMILESCCCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O
InChIInChI=1S/C26H40N2O5S/c1-5-6-7-8-22-9-10-26-24(15-22)33-25(18-27(4)17-23-11-13-32-14-12-23)20(2)16-28(21(3)19-29)34(26,30)31/h9-10,15,20-21,23,25,29H,5-6,11-14,16-19H2,1-4H3/t20-,21-,25+/m0/s1
InChIKeyYPWSXDREONXLFW-STWLZBDKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4S,5S)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:95740) is a aromatic ether (CHEBI:35618)
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