Sacubitril valsartan sodium hydrate (JAN)

Properties Image Occurences in reactions MNX_ID MNXM160955 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C96H120N12Na6O21 charge 0 mass 1914.80771 reference keggD:D10226 InChIKey ZASXKEGREHRXDL-CAWNUZPDSA-H InChI InChI=1S/2C24H29N5O3.2C24H29NO5.6Na.5H2O/c2*1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;;;;;;;;/h2*6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;;;;5*1H2/q;;;;6*+1;;;;;/p-6/t2*22-;2*17-,21+;;;;;;;;;;;/m0011.........../s1 SMILES CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])C(C)C.O.O.O.O.O.[H][C@@](Cc1ccc(-c2ccccc2)cc1)(C[C@@]([H])(C)C(=O)OCC)NC(=O)CCC(=O)[O-].[H][C@@](Cc1ccc(-c2ccccc2)cc1)(C[C@@]([H])(C)C(=O)OCC)NC(=O)CCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Parent-child relations graph

Deprecated MNXref IDs graph