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CHEBI:126567 - (2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:126567
ChEBI Name(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC27H37N3O4S
Net Charge0
Average Mass499.677
Monoisotopic Mass499.25048
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChIInChI=1S/C27H37N3O4S/c1-20-16-30(21(2)19-31)35(32,33)27-12-11-24(23-9-5-4-6-10-23)14-25(27)34-26(20)18-29(3)17-22-8-7-13-28-15-22/h7-9,11-15,20-21,26,31H,4-6,10,16-19H2,1-3H3/t20-,21+,26-/m0/s1
InChIKeyIERISQUFPFVSDP-UZINWLIJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126567) is a aromatic ether (CHEBI:35618)
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