CHEBI:96177 - (2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:96177 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H33N3O5S Net Charge 0 Average Mass 487.614 Monoisotopic Mass 487.21409 InChI InChI=1S/C25H33N3O5S/c1-19-15-28(20(2)18-29)34(30,31)25-11-10-21(8-7-13-32-4)14-23(25)33-24(19)17-27(3)16-22-9-5-6-12-26-22/h5-6,9-12,14,19-20,24,29H,13,15-18H2,1-4H3/t19-,20+,24+/m0/s1 InChIKey XQGYHBQFJUCHTM-DCLXLUIPSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCOC)O[C@@H]1CN(C)CC3=CC=CC=N3)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:96177) is a aminoalkylpyridine (CHEBI:38198) Manual Xref Database LSM-7556 LINCS View more database links