N-(2-oxindole-3-acetyl)-L-aspartic acid

Properties Image MNX_ID MNXM6756 reference chebi:136722 formula C14H14N2O6 global charge 0 mol weight 306.274 InChIKey SDOOMIWSQMGJCL-HTLJXXAVSA-N InChI InChI=1S/C14H14N2O6/c17-11(15-10(14(21)22)6-12(18)19)5-8-7-3-1-2-4-9(7)16-13(8)20/h1-4,8,10H,5-6H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t8?,10-/m0/s1 SMILES O=C(O)C[C@H](NC(=O)CC1C(=O)NC2=C1C=CC=C2)C(=O)O MNX internals InChI (mnx) InChI=1/C14H14N2O6/c17-11(15-10(14(21)22)6-12(18)19)5-8-7-3-1-2-4-9(7)16-13(8)20/h1-4,8,10H,5-6H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t8?,10-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]2[C:7](=[CH:3]1)[CH:8]([CH2:5][C:11](=[N:15][C@@H:10]([CH2:6][C:12](=[O:18])[OH:19])[C:14](=[O:21])[OH:22])[OH:17])[C:13]([OH:20])=[N:16]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0