compound 0103698

Properties Image MNX_ID MNXM1187935 reference envipathM:...5c6669ea7851 formula C13H21N2O7 global charge -1 mol weight 317.318 InChIKey CKCYURUPLPAVQL-VGOFMYFVSA-M InChI InChI=1S/C13H22N2O7/c1-3-9(13(22,8-17)11(19)12(20)21)14-7-10(18)15(4-2)5-6-16/h6-7,9-10,17-18,22H,3-5,8H2,1-2H3,(H,20,21)/p-1/b14-7+ SMILES CCC(/N=C/C(O)N(CC)CC=O)C(O)(CO)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O7/c1-3-9(13(22,8-17)11(19)12(20)21)14-7-10(18)15(4-2)5-6-16/h6-7,9-10,17-18,22H,3-5,8H2,1-2H3,(H,20,21)/b14-7+/t9?,10?,13? SMILES (mnx) [CH3:1][CH2:3][CH:9]([C:13]([CH2:8][OH:17])([C:11]([C:12]([OH:20])=[O:21])=[O:19])[OH:22])/[N:14]=[CH:7]/[CH:10]([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