compound 0109474

Properties Image MNX_ID MNXM1195098 reference envipathM:...5e18b97a7755 formula C13H21N2O7 global charge -1 mol weight 317.318 InChIKey QKUGHARRGAFDDO-MKMNVTDBSA-M InChI InChI=1S/C13H22N2O7/c1-4-9(13(22,7-16)11(19)12(20)21)14-6-10(18)15(5-2)8(3)17/h6-10,17-18,22H,4-5H2,1-3H3,(H,20,21)/p-1/b14-6+ SMILES CCC(/N=C/C(O)N(CC)C(C)O)C(O)(C=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O7/c1-4-9(13(22,7-16)11(19)12(20)21)14-6-10(18)15(5-2)8(3)17/h6-10,17-18,22H,4-5H2,1-3H3,(H,20,21)/b14-6+/t8?,9?,10?,13? SMILES (mnx) [CH3:1][CH2:4][CH:9]([C:13]([CH:7]=[O:16])([C:11]([C:12]([OH:20])=[O:21])=[O:19])[OH:22])/[N:14]=[CH:6]/[CH:10]([N:15]([CH2:5][CH3:2])[CH:8]([CH3:3])[OH:17])[OH:18]

Parent-child relations graph

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