CHEBI:127952 - (2S)-2-[(4S,5S)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2S)-2-[(4S,5S)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:127952
Stars This entity has been manually annotated by a third party.
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Formula C24H33N3O4S
Net Charge 0
Average Mass 459.604
Monoisotopic Mass 459.21918
InChI InChI=1S/C24H33N3O4S/c1-17-13-27(18(2)16-28)32(29,30)24-9-8-20(21-5-4-10-25-12-21)11-22(24)31-23(17)15-26(3)14-19-6-7-19/h4-5,8-12,17-19,23,28H,6-7,13-16H2,1-3H3/t17-,18-,23+/m0/s1
InChIKey GLPBKLWDLUWEIQ-IUKKYPGJSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CN=CC=C3)O[C@@H]1CN(C)CC4CC4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S)-2-[(4S,5S)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:127952) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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