CHEBI:110127 - 1-[[(4R,5S)-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-cyclopentyl-1-methylurea

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ChEBI Name 1-[[(4R,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-cyclopentyl-1-methylurea ChEBI ID CHEBI:110127 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H32BrN3O5S Net Charge 0 Average Mass 518.466 Monoisotopic Mass 517.12460 InChI InChI=1S/C21H32BrN3O5S/c1-14-11-25(15(2)13-26)31(28,29)20-9-8-16(22)10-18(20)30-19(14)12-24(3)21(27)23-17-6-4-5-7-17/h8-10,14-15,17,19,26H,4-7,11-13H2,1-3H3,(H,23,27)/t14-,15-,19-/m1/s1 InChIKey SZIKTFJCEPOTBZ-SPYBWZPUSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@@H]1CN(C)C(=O)NC3CCCC3)[C@H](C)CO ChEBI Ontology Outgoing 1-[[(4R,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-cyclopentyl-1-methylurea (CHEBI:110127) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-21554 LINCS View more database links