compound 0229352

Properties Image MNX_ID MNXM1138834 reference envipathM:...10ffb67a57f5 formula C12H16N2O6 global charge -2 mol weight 284.268 InChIKey ZFIBOWFEOZSVSA-UHFFFAOYSA-L InChI InChI=1S/C12H18N2O6/c1-6(15)13-3-2-7-5-14-8(4-9(16)17)10(7)11(18)12(19)20/h7-8,10,14H,2-5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/p-2 SMILES CC(=O)NCCC1CNC(CC(=O)[O-])C1C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O6/c1-6(15)13-3-2-7-5-14-8(4-9(16)17)10(7)11(18)12(19)20/h7-8,10,14H,2-5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/t7?,8?,10? SMILES (mnx) [CH3:1][C:6](=[N:13][CH2:3][CH2:2][CH:7]1[CH2:5][NH:14][CH:8]([CH2:4][C:9](=[O:16])[OH:17])[CH:10]1[C:11]([C:12]([OH:19])=[O:20])=[O:18])[OH:15]

Parent-child relations graph

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