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CHEBI:125979 - (2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:125979
ChEBI Name(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC25H38N2O4S
Net Charge0
Average Mass462.656
Monoisotopic Mass462.25523
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChIInChI=1S/C25H38N2O4S/c1-18-14-27(19(2)17-28)32(29,30)25-12-11-22(21-7-5-4-6-8-21)13-23(25)31-24(18)16-26(3)15-20-9-10-20/h7,11-13,18-20,24,28H,4-6,8-10,14-17H2,1-3H3/t18-,19+,24-/m0/s1
InChIKeyJGNQIWALOVNPJK-GLDPYIMESA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:125979) is a aromatic ether (CHEBI:35618)
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