CHEBI:127919 - (2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)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-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:127919
Stars This entity has been manually annotated by a third party.
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Formula C22H34N2O4S
Net Charge 0
Average Mass 422.583
Monoisotopic Mass 422.22393
InChI InChI=1S/C22H34N2O4S/c1-16-13-24(17(2)15-25)29(26,27)22-11-10-19(18-8-6-5-7-9-18)12-20(22)28-21(16)14-23(3)4/h8,10-12,16-17,21,25H,5-7,9,13-15H2,1-4H3/t16-,17+,21+/m1/s1
InChIKey GXGOFMFIUNYHNH-WWMYMODYSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:127919) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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