6-(2-amino-2-carboxylatoethyl)-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate

Properties Image MNX_ID MNXM10356 reference metacycM:CPD-12137 formula C14H14N2O6 global charge -2 mol weight 306.274 InChIKey QBBGWMASRQJPHL-UHFFFAOYSA-L InChI InChI=1S/C14H16N2O6/c15-9(13(19)20)4-6-1-2-10-7(3-6)8(12(17)18)5-11(16-10)14(21)22/h1-3,8-9,11,16H,4-5,15H2,(H,17,18)(H,19,20)(H,21,22)/p-2 SMILES [NH3+]C(CC1=CC=C2NC(C(=O)[O-])CC(C(=O)[O-])C2=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H16N2O6/c15-9(13(19)20)4-6-1-2-10-7(3-6)8(12(17)18)5-11(16-10)14(21)22/h1-3,8-9,11,16H,4-5,15H2,(H,17,18)(H,19,20)(H,21,22)/t8?,9?,11? SMILES (mnx) [CH:1]1=[CH:2][C:10]2=[C:7]([CH:3]=[C:6]1[CH2:4][CH:9]([C:13](=[O:19])[OH:20])[NH2:15])[CH:8]([C:12](=[O:17])[OH:18])[CH2:5][CH:11]([C:14](=[O:21])[OH:22])[NH:16]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0