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CHEBI:95603 - (2S)-2-[(4R,5R)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:95603
ChEBI Name(2S)-2-[(4R,5R)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC25H33N3O5S
Net Charge0
Average Mass487.622
Monoisotopic Mass487.21409
SMILESCOCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
InChIInChI=1S/C25H33N3O5S/c1-19-15-28(20(2)18-29)34(30,31)25-11-10-21(8-7-13-32-4)14-23(25)33-24(19)17-27(3)16-22-9-5-6-12-26-22/h5-6,9-12,14,19-20,24,29H,13,15-18H2,1-4H3/t19-,20+,24+/m1/s1
InChIKeyXQGYHBQFJUCHTM-NMMYMHLASA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4R,5R)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:95603) is a aminoalkylpyridine (CHEBI:38198)
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