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CHEBI:96211 - N-[[(4R,5S)-8-(1-cyclohexenyl)-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-methyl-2-pyridin-4-ylacetamide

ChEBI IDCHEBI:96211
ChEBI NameN-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
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DownloadsMolfile
FormulaC28H37N3O5S
Net Charge0
Average Mass527.687
Monoisotopic Mass527.24539
SMILESC[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)Cc1ccncc1
InChIInChI=1S/C28H37N3O5S/c1-20-17-31(21(2)19-32)37(34,35)27-10-9-24(23-7-5-4-6-8-23)16-25(27)36-26(20)18-30(3)28(33)15-22-11-13-29-14-12-22/h7,9-14,16,20-21,26,32H,4-6,8,15,17-19H2,1-3H3/t20-,21-,26-/m1/s1
InChIKeyDSAVDXHQQHIKAO-IPVFLDMMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide (CHEBI:96211) is a aromatic ether (CHEBI:35618)
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