CHEBI:106247 - 1-[[(4R,5R)-8-bromo-2-[(2S)-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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ChEBI Name 1-[[(4R,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea ChEBI ID CHEBI:106247 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H30BrN3O6S Net Charge 0 Average Mass 556.471 Monoisotopic Mass 555.10387 InChI InChI=1S/C23H30BrN3O6S/c1-15-12-27(16(2)14-28)34(30,31)22-10-9-17(24)11-20(22)33-21(15)13-26(3)23(29)25-18-7-5-6-8-19(18)32-4/h5-11,15-16,21,28H,12-14H2,1-4H3,(H,25,29)/t15-,16+,21+/m1/s1 InChIKey HYQDYNVKVXEYDN-XFQAVAEZSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@H]1CN(C)C(=O)NC3=CC=CC=C3OC)[C@@H](C)CO ChEBI Ontology Outgoing 1-[[(4R,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea (CHEBI:106247) is a ureas (CHEBI:47857) Manual Xref Database LSM-17608 LINCS View more database links