CHEBI:96706 - 1-[[(4S,5S)-8-[(3R)-3-hydroxybut-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]-1-methyl-3-propan-2-ylurea

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ChEBI Name 1-[[(4S,5S)-8-[(3R)-3-hydroxybut-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propan-2-ylurea ChEBI ID CHEBI:96706 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H35N3O6S Net Charge 0 Average Mass 481.607 Monoisotopic Mass 481.22466 InChI InChI=1S/C23H35N3O6S/c1-15(2)24-23(29)25(6)13-21-16(3)12-26(17(4)14-27)33(30,31)22-10-9-19(8-7-18(5)28)11-20(22)32-21/h9-11,15-18,21,27-28H,12-14H2,1-6H3,(H,24,29)/t16-,17+,18+,21+/m0/s1 InChIKey VEFOSOMUCSIFLK-XKGFGPFHSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#C[C@@H](C)O)O[C@@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO ChEBI Ontology Outgoing 1-[[(4S,5S)-8-[(3R)-3-hydroxybut-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:96706) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-8085 LINCS View more database links