CHEBI:119536 - N-[[(4S,5R)-8-(2-cyclopropylethynyl)-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-methylmethanesulfonamide

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ChEBI Name N-[[(4S,5R)-8-(2-cyclopropylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide ChEBI ID CHEBI:119536 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H30N2O6S2 Net Charge 0 Average Mass 470.606 Monoisotopic Mass 470.15453 InChI InChI=1S/C21H30N2O6S2/c1-15-12-23(16(2)14-24)31(27,28)21-10-9-18(8-7-17-5-6-17)11-19(21)29-20(15)13-22(3)30(4,25)26/h9-11,15-17,20,24H,5-6,12-14H2,1-4H3/t15-,16-,20-/m0/s1 InChIKey MCOJFHYNZBKTQP-FTRWYGJKSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CC3)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5R)-8-(2-cyclopropylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide (CHEBI:119536) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-30983 LINCS View more database links