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CHEBI:119724 - 2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide

ChEBI IDCHEBI:119724
ChEBI Name2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
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FormulaC24H34N4O5S
Net Charge0
Average Mass490.626
Monoisotopic Mass490.22499
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C(=O)CN(C)C
InChIInChI=1S/C24H34N4O5S/c1-17-13-28(18(2)16-29)34(31,32)23-7-6-20(19-8-10-25-11-9-19)12-21(23)33-22(17)14-27(5)24(30)15-26(3)4/h6-12,17-18,22,29H,13-16H2,1-5H3/t17-,18-,22-/m0/s1
InChIKeyNALQGZGZTMNLHT-SPEDKVCISA-N
ChEBI Ontology
Outgoing Relation(s)
2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:119724) is a phenylpyridine (CHEBI:38193)
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