CHEBI:128841 - N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide

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ChEBI Name N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
ChEBI ID CHEBI:128841
Stars This entity has been manually annotated by a third party.
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Formula C24H34N2O5S
Net Charge 0
Average Mass 462.604
Monoisotopic Mass 462.21884
InChI InChI=1S/C24H34N2O5S/c1-16-13-26(17(2)15-27)32(29,30)23-11-10-20(18-6-4-5-7-18)12-21(23)31-22(16)14-25(3)24(28)19-8-9-19/h6,10-12,16-17,19,22,27H,4-5,7-9,13-15H2,1-3H3/t16-,17-,22-/m1/s1
InChIKey XQHDQSGGBUREBX-DRSNIGMVSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)C4CC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:128841) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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