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CHEBI:130930 - 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-methylpropanamide

ChEBI IDCHEBI:130930
ChEBI NameN-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide
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DownloadsMolfile
FormulaC23H34N2O5S
Net Charge0
Average Mass450.601
Monoisotopic Mass450.21884
SMILESCCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C23H34N2O5S/c1-5-23(27)24(4)14-21-16(2)13-25(17(3)15-26)31(28,29)22-11-10-19(12-20(22)30-21)18-8-6-7-9-18/h8,10-12,16-17,21,26H,5-7,9,13-15H2,1-4H3/t16-,17-,21-/m1/s1
InChIKeyNEJRRDNCCIILSE-CBGDNZLLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide (CHEBI:130930) is a aromatic ether (CHEBI:35618)
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