compound 0105798

Properties Image MNX_ID MNXM1191159 reference envipathM:...f86e05d4408d formula C12H19N2O5 global charge -1 mol weight 271.293 InChIKey BVCVBSRHNNBKJS-MAITYPISSA-M InChI InChI=1S/C12H20N2O5/c1-4-9(8(3)12(18)19)13-6-10(16)14(5-2)11(17)7-15/h4,6-8,10-11,16-17H,5H2,1-3H3,(H,18,19)/p-1/b9-4-,13-6+ SMILES C/C=C(\N=C\C(O)N(CC)C(O)C=O)C(C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O5/c1-4-9(8(3)12(18)19)13-6-10(16)14(5-2)11(17)7-15/h4,6-8,10-11,16-17H,5H2,1-3H3,(H,18,19)/b9-4-,13-6+/t8?,10?,11? SMILES (mnx) [CH3:1]/[CH:4]=[C:9]([CH:8]([CH3:3])[C:12](=[O:18])[OH:19])\[N:13]=[CH:6]\[CH:10]([N:14]([CH2:5][CH3:2])[CH:11]([CH:7]=[O:15])[OH:17])[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0