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CHEBI:106307 - 1-[[(4R,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:106307
ChEBI Name1-[[(4R,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC23H30BrN3O6S
Net Charge0
Average Mass556.479
Monoisotopic Mass555.10387
SMILESCOc1ccccc1NC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C23H30BrN3O6S/c1-15-12-27(16(2)14-28)34(30,31)22-10-9-17(24)11-20(22)33-21(15)13-26(3)23(29)25-18-7-5-6-8-19(18)32-4/h5-11,15-16,21,28H,12-14H2,1-4H3,(H,25,29)/t15-,16-,21+/m1/s1
InChIKeyHYQDYNVKVXEYDN-ZOCZFRKYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(4R,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea (CHEBI:106307) is a ureas (CHEBI:47857)
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