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CHEBI:119500 - 4-[(4R,5S)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:119500
ChEBI Name4-[(4R,5S)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
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DownloadsMolfile
FormulaC31H37FN4O6S
Net Charge0
Average Mass612.724
Monoisotopic Mass612.24178
SMILESC[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2O[C@@H]1CN(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C31H37FN4O6S/c1-20-17-36(21(2)19-37)43(40,41)29-15-14-24(22-10-12-23(13-11-22)30(38)34(3)4)16-27(29)42-28(20)18-35(5)31(39)33-26-9-7-6-8-25(26)32/h6-16,20-21,28,37H,17-19H2,1-5H3,(H,33,39)/t20-,21-,28-/m1/s1
InChIKeyCBIJUIOTIYQLMH-UMQWNRPGSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(4R,5S)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide (CHEBI:119500) is a ureas (CHEBI:47857)
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