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CHEBI:127017 - 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-methyl-2-pyridin-4-ylacetamide

ChEBI IDCHEBI:127017
ChEBI NameN-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
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DownloadsMolfile
FormulaC27H35N3O5S
Net Charge0
Average Mass513.660
Monoisotopic Mass513.22974
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)Cc1ccncc1
InChIInChI=1S/C27H35N3O5S/c1-19-16-30(20(2)18-31)36(33,34)26-9-8-23(22-6-4-5-7-22)15-24(26)35-25(19)17-29(3)27(32)14-21-10-12-28-13-11-21/h6,8-13,15,19-20,25,31H,4-5,7,14,16-18H2,1-3H3/t19-,20-,25-/m0/s1
InChIKeyZXOCSHLRVHMIRD-RLSLOFABSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide (CHEBI:127017) is a aromatic ether (CHEBI:35618)
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