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CHEBI:130432 - (2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:130432
ChEBI Name(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC27H42N2O4S
Net Charge0
Average Mass490.710
Monoisotopic Mass490.28653
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChIInChI=1S/C27H42N2O4S/c1-20-16-29(21(2)19-30)34(31,32)27-14-13-24(23-11-5-4-6-12-23)15-25(27)33-26(20)18-28(3)17-22-9-7-8-10-22/h11,13-15,20-22,26,30H,4-10,12,16-19H2,1-3H3/t20-,21+,26+/m0/s1
InChIKeyHXWMLPVQOJFMRY-LZCXECNNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130432) is a aromatic ether (CHEBI:35618)
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