compound 0100592

Properties Image MNX_ID MNXM1172104 reference envipathM:...eeb59b4ac35a formula C13H21N2O6 global charge -1 mol weight 301.319 InChIKey UPNJRLUQWNOTQR-UHFFFAOYSA-M InChI InChI=1S/C13H22N2O6/c1-3-10(9(8-17)12(19)13(20)21)14-11(18)7-15(4-2)5-6-16/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,14,18)(H,20,21)/p-1 SMILES CCC(/N=C(\O)CN(CC)CC=O)C(CO)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O6/c1-3-10(9(8-17)12(19)13(20)21)14-11(18)7-15(4-2)5-6-16/h6,9-10,17H,3-5,7-8H2,1-2H3,(H,14,18)(H,20,21)/t9?,10? SMILES (mnx) [CH3:1][CH2:3][CH:10]([CH:9]([CH2:8][OH:17])[C:12]([C:13]([OH:20])=[O:21])=[O:19])[N:14]=[C:11]([CH2:7][N:15]([CH2:4][CH3:2])[CH2:5][CH:6]=[O:16])[OH:18]

Parent-child relations graph

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