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CHEBI:127145 - 1-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea

ChEBI IDCHEBI:127145
ChEBI Name1-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
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FormulaC25H39N3O5S
Net Charge0
Average Mass493.670
Monoisotopic Mass493.26104
SMILESCCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C25H39N3O5S/c1-5-13-26-25(30)27(4)16-23-18(2)15-28(19(3)17-29)34(31,32)24-12-11-21(14-22(24)33-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,29H,5-8,10,13,15-17H2,1-4H3,(H,26,30)/t18-,19-,23+/m1/s1
InChIKeyKOEXOIIEHYSPGP-PWHSHALESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea (CHEBI:127145) is a aromatic ether (CHEBI:35618)
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