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CHEBI:129639 - N-[[(4S,5R)-8-(1-cyclopentenyl)-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:129639
ChEBI NameN-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide
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FormulaC25H36N2O5S
Net Charge0
Average Mass476.639
Monoisotopic Mass476.23449
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1
InChIInChI=1S/C25H36N2O5S/c1-17-14-27(18(2)16-28)33(30,31)24-12-11-21(19-7-4-5-8-19)13-22(24)32-23(17)15-26(3)25(29)20-9-6-10-20/h7,11-13,17-18,20,23,28H,4-6,8-10,14-16H2,1-3H3/t17-,18-,23-/m0/s1
InChIKeyOORKZMYQCAZRNE-BSRJHKFKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclobutanecarboxamide (CHEBI:129639) is a aromatic ether (CHEBI:35618)
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