CHEBI:126177 - (2R)-2-[(4S,5R)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-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 (2R)-2-[(4S,5R)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:126177
Stars This entity has been manually annotated by a third party.
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Formula C24H37N3O4S
Net Charge 0
Average Mass 463.635
Monoisotopic Mass 463.25048
InChI InChI=1S/C24H37N3O4S/c1-18-14-27(19(2)17-28)32(29,30)24-11-10-20(7-6-12-25(3)4)13-22(24)31-23(18)16-26(5)15-21-8-9-21/h10-11,13,18-19,21,23,28H,8-9,12,14-17H2,1-5H3/t18-,19+,23-/m0/s1
InChIKey JPICKTNHOQOUGB-YYDVJCTNSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCN(C)C)O[C@H]1CN(C)CC3CC3)[C@H](C)CO
ChEBI Ontology
Outgoing (2R)-2-[(4S,5R)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126177) is a aromatic ether (CHEBI:35618)
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