compound 0105160

Properties Image MNX_ID MNXM1180722 reference envipathM:...499cdab97538 formula C13H23N2O7 global charge -1 mol weight 319.334 InChIKey VEZMWBDKAOMFCC-UHFFFAOYSA-M InChI InChI=1S/C13H24N2O7/c1-4-9(8(2)11(18)12(19)20)14-10(17)7-15(5-6-16)13(3,21)22/h8-9,16,21-22H,4-7H2,1-3H3,(H,14,17)(H,19,20)/p-1 SMILES CCC(/N=C(\O)CN(CCO)C(C)(O)O)C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H24N2O7/c1-4-9(8(2)11(18)12(19)20)14-10(17)7-15(5-6-16)13(3,21)22/h8-9,16,21-22H,4-7H2,1-3H3,(H,14,17)(H,19,20)/t8?,9? SMILES (mnx) [CH3:1][CH2:4][CH:9]([CH:8]([CH3:2])[C:11]([C:12]([OH:19])=[O:20])=[O:18])[N:14]=[C:10]([CH2:7][N:15]([CH2:5][CH2:6][OH:16])[C:13]([CH3:3])([OH:21])[OH:22])[OH:17]

Parent-child relations graph

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