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CHEBI:126296 - (2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:126296
ChEBI Name(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC26H36N4O4S
Net Charge0
Average Mass500.665
Monoisotopic Mass500.24573
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cncnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChIInChI=1S/C26H36N4O4S/c1-19-14-30(20(2)17-31)35(32,33)26-10-9-23(22-7-5-4-6-8-22)11-24(26)34-25(19)16-29(3)15-21-12-27-18-28-13-21/h7,9-13,18-20,25,31H,4-6,8,14-17H2,1-3H3/t19-,20+,25+/m0/s1
InChIKeyCGOCMQHCURDBDJ-WZOHSFFVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126296) is a aromatic ether (CHEBI:35618)
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