compound 0100607

Properties Image MNX_ID MNXM1180921 reference envipathM:...1cb16d1e17d7 formula C13H20N2O6 global charge -2 mol weight 300.311 InChIKey OOVYUGBYLZTJHD-UHFFFAOYSA-L InChI InChI=1S/C13H22N2O6/c1-4-9(8(3)12(19)13(20)21)14-10(16)6-15(5-2)7-11(17)18/h8-9H,4-7H2,1-3H3,(H,14,16)(H,17,18)(H,20,21)/p-2 SMILES CCC(/N=C(\O)CN(CC)CC(=O)[O-])C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O6/c1-4-9(8(3)12(19)13(20)21)14-10(16)6-15(5-2)7-11(17)18/h8-9H,4-7H2,1-3H3,(H,14,16)(H,17,18)(H,20,21)/t8?,9? SMILES (mnx) [CH3:1][CH2:4][CH:9]([CH:8]([CH3:3])[C:12]([C:13]([OH:20])=[O:21])=[O:19])[N:14]=[C:10]([CH2:6][N:15]([CH2:5][CH3:2])[CH2:7][C:11](=[O:17])[OH:18])[OH:16]

Parent-child relations graph

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