CHEBI:114025 - (2S)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2S)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:114025 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H29BrN2O4S Net Charge 0 Average Mass 461.415 Monoisotopic Mass 460.10314 InChI InChI=1S/C19H29BrN2O4S/c1-13-9-22(14(2)12-23)27(24,25)19-7-6-16(20)8-17(19)26-18(13)11-21(3)10-15-4-5-15/h6-8,13-15,18,23H,4-5,9-12H2,1-3H3/t13-,14-,18-/m0/s1 InChIKey NQKVBKPKEYEFNC-DEYYWGMASA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@H]1CN(C)CC3CC3)[C@@H](C)CO ChEBI Ontology Outgoing (2S)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114025) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-25457 LINCS View more database links