N(2)-malonyl-D-tryptophan

Properties Image MNX_ID MNXM4680 reference chebi:57549 formula C14H12N2O5 global charge -2 mol weight 288.259 InChIKey OVEAWSPZRGBTSS-LLVKDONJSA-L InChI InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-/m1/s1 SMILES O=C([O-])CC(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][C@H:11]([C:14](=[O:20])[OH:21])[N:16]=[C:12]([CH2:6][C:13](=[O:18])[OH:19])[OH:17])=[CH:7][NH:15]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0