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CHEBI:127445 - N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide

ChEBI IDCHEBI:127445
ChEBI NameN-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide
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FormulaC26H38N2O5S
Net Charge0
Average Mass490.666
Monoisotopic Mass490.25014
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1
InChIInChI=1S/C26H38N2O5S/c1-18-15-28(19(2)17-29)34(31,32)25-13-12-22(20-8-5-4-6-9-20)14-23(25)33-24(18)16-27(3)26(30)21-10-7-11-21/h8,12-14,18-19,21,24,29H,4-7,9-11,15-17H2,1-3H3/t18-,19-,24-/m0/s1
InChIKeyXHAFUOMMLFRIKJ-JXQFQVJHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide (CHEBI:127445) is a aromatic ether (CHEBI:35618)
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