CHEBI:106109 - 1-[[(4S,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-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

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ChEBI Name 1-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea ChEBI ID CHEBI:106109 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H29BrN4O6S Net Charge 0 Average Mass 545.449 Monoisotopic Mass 544.09912 InChI InChI=1S/C21H29BrN4O6S/c1-12-9-26(13(2)11-27)33(29,30)19-7-6-16(22)8-17(19)31-18(12)10-25(5)21(28)23-20-14(3)24-32-15(20)4/h6-8,12-13,18,27H,9-11H2,1-5H3,(H,23,28)/t12-,13+,18-/m0/s1 InChIKey YQEAZHSPJCEZGR-JCGVRSQUSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@H]1CN(C)C(=O)NC3=C(ON=C3C)C)[C@H](C)CO ChEBI Ontology Outgoing 1-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:106109) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-17470 LINCS View more database links