Asp-Pro-Asp

Properties Image MNX_ID MNXM1123432 reference chebi:160833 formula C13H19N3O8 global charge 0 mol weight 345.308 InChIKey KESWRFKUZRUTAH-FXQIFTODSA-N InChI InChI=1S/C13H19N3O8/c14-6(4-9(17)18)12(22)16-3-1-2-8(16)11(21)15-7(13(23)24)5-10(19)20/h6-8H,1-5,14H2,(H,15,21)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H19N3O8/c14-6(4-9(17)18)12(22)16-3-1-2-8(16)11(21)15-7(13(23)24)5-10(19)20/h6-8H,1-5,14H2,(H,15,21)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][C@@H:8]([C:11](=[N:15][C@@H:7]([CH2:5][C:10](=[O:19])[OH:20])[C:13](=[O:23])[OH:24])[OH:21])[N:16]([C:12]([C@H:6]([CH2:4][C:9](=[O:17])[OH:18])[NH2:14])=[O:22])[CH2:3]1

Parent-child relations graph

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