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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

ChEBI IDCHEBI:126177
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$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC24H37N3O4S
Net Charge0
Average Mass463.644
Monoisotopic Mass463.25048
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O
InChIInChI=1S/C24H37N3O4S/c1-18-14-27(19(2)17-28)32(29,30)24-11-10-20(7-6-12-25(3)4)13-22(24)31-23(18)16-26(5)15-21-8-9-21/h10-11,13,18-19,21,23,28H,8-9,12,14-17H2,1-5H3/t18-,19+,23-/m0/s1
InChIKeyJPICKTNHOQOUGB-YYDVJCTNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5R)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126177) is a aromatic ether (CHEBI:35618)
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