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CHEBI:114106 - N-[[(4S,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-4-oxanecarboxamide

ChEBI IDCHEBI:114106
ChEBI NameN-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
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DownloadsMolfile
FormulaC27H40N2O6S
Net Charge0
Average Mass520.692
Monoisotopic Mass520.26071
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChIInChI=1S/C27H40N2O6S/c1-19-16-29(20(2)18-30)36(32,33)26-10-9-23(21-7-5-4-6-8-21)15-24(26)35-25(19)17-28(3)27(31)22-11-13-34-14-12-22/h7,9-10,15,19-20,22,25,30H,4-6,8,11-14,16-18H2,1-3H3/t19-,20+,25+/m0/s1
InChIKeyQGQQAQHDJARTFG-WZOHSFFVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:114106) is a aromatic ether (CHEBI:35618)
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