CHEBI:110080 - N-[[(4S,5R)-8-(3-cyclopentylprop-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide

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ChEBI Name N-[[(4S,5R)-8-(3-cyclopentylprop-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide ChEBI ID CHEBI:110080 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H38N2O6S Net Charge 0 Average Mass 506.657 Monoisotopic Mass 506.24506 InChI InChI=1S/C26H38N2O6S/c1-19-15-28(20(2)17-29)35(31,32)25-13-12-22(11-7-10-21-8-5-6-9-21)14-23(25)34-24(19)16-27(3)26(30)18-33-4/h12-14,19-21,24,29H,5-6,8-10,15-18H2,1-4H3/t19-,20+,24-/m0/s1 InChIKey IWCIQXTVMOHXRP-ROKPMTFOSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC3CCCC3)O[C@H]1CN(C)C(=O)COC)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5R)-8-(3-cyclopentylprop-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide (CHEBI:110080) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-21507 LINCS View more database links