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CHEBI:129697 - (2S)-2-[(4R,5S)-8-(1-cyclopentenyl)-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:129697
ChEBI Name(2S)-2-[(4R,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC25H34N4O4S
Net Charge0
Average Mass486.638
Monoisotopic Mass486.23008
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1cncnc1
InChIInChI=1S/C25H34N4O4S/c1-18-13-29(19(2)16-30)34(31,32)25-9-8-22(21-6-4-5-7-21)10-23(25)33-24(18)15-28(3)14-20-11-26-17-27-12-20/h6,8-12,17-19,24,30H,4-5,7,13-16H2,1-3H3/t18-,19+,24-/m1/s1
InChIKeyFNMUPMBHEXPXEL-YDIMBITNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4R,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:129697) is a aromatic ether (CHEBI:35618)
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