compound 0227153

Properties Image MNX_ID MNXM1187265 reference envipathM:...ba8dd34854cd formula C12H18N2O7 global charge -2 mol weight 302.283 InChIKey MTCPINQNOIMSHP-UHFFFAOYSA-L InChI InChI=1S/C12H20N2O7/c1-6(15)14-3-2-7(5-13)10(11(19)12(20)21)8(16)4-9(17)18/h7,10-11,19H,2-5,13H2,1H3,(H,14,15)(H,17,18)(H,20,21)/p-2 SMILES CC(=O)NCCC(CN)C(C(=O)CC(=O)[O-])C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O7/c1-6(15)14-3-2-7(5-13)10(11(19)12(20)21)8(16)4-9(17)18/h7,10-11,19H,2-5,13H2,1H3,(H,14,15)(H,17,18)(H,20,21)/t7?,10?,11? SMILES (mnx) [CH3:1][C:6](=[N:14][CH2:3][CH2:2][CH:7]([CH2:5][NH2:13])[CH:10]([C:8]([CH2:4][C:9](=[O:17])[OH:18])=[O:16])[CH:11]([C:12](=[O:20])[OH:21])[OH:19])[OH:15]

Parent-child relations graph

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