CHEBI:129780 - N-[[(4S,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-methylcyclohexanecarboxamide

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ChEBI Name N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide ChEBI ID CHEBI:129780 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H40N2O5S Net Charge 0 Average Mass 504.684 Monoisotopic Mass 504.26579 InChI InChI=1S/C27H40N2O5S/c1-19-16-29(20(2)18-30)35(32,33)26-14-13-23(21-9-7-8-10-21)15-24(26)34-25(19)17-28(3)27(31)22-11-5-4-6-12-22/h9,13-15,19-20,22,25,30H,4-8,10-12,16-18H2,1-3H3/t19-,20+,25+/m0/s1 InChIKey BAVJOCCOTRWQAG-WZOHSFFVSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)C4CCCCC4)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:129780) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-41331 LINCS View more database links