1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Properties Image Occurences in reactions MNX_ID MNXM341754 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C29H39N3O6S charge 0 mass 557.25596 reference chebi:96442 InChIKey JVNQANUBSNFBGV-LOYIFYEOSA-N InChI InChI=1S/C29H39N3O6S/c1-20(2)8-7-9-23-10-15-28-26(16-23)38-27(21(3)17-32(22(4)19-33)39(28,35)36)18-31(5)29(34)30-24-11-13-25(37-6)14-12-24/h10-16,20-22,27,33H,8,17-19H2,1-6H3,(H,30,34)/t21-,22-,27+/m1/s1 SMILES COc1ccc(NC(=O)N(C)C[C@@H]2Oc3cc(C#CCC(C)C)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1

Parent-child relations graph

Deprecated MNXref IDs graph