Ile-Asp-Asp

Properties Image MNX_ID MNXM1120868 reference chebi:158254 formula C14H23N3O8 global charge 0 mol weight 361.351 InChIKey HVWXAQVMRBKKFE-UGYAYLCHSA-N InChI InChI=1S/C14H23N3O8/c1-3-6(2)11(15)13(23)16-7(4-9(18)19)12(22)17-8(14(24)25)5-10(20)21/h6-8,11H,3-5,15H2,1-2H3,(H,16,23)(H,17,22)(H,18,19)(H,20,21)(H,24,25)/t6-,7-,8-,11-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H23N3O8/c1-3-6(2)11(15)13(23)16-7(4-9(18)19)12(22)17-8(14(24)25)5-10(20)21/h6-8,11H,3-5,15H2,1-2H3,(H,16,23)(H,17,22)(H,18,19)(H,20,21)(H,24,25)/t6-,7-,8-,11-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:6]([CH3:2])[C@@H:11]([C:13](=[N:16][C@@H:7]([CH2:4][C:9](=[O:18])[OH:19])[C:12](=[N:17][C@@H:8]([CH2:5][C:10](=[O:20])[OH:21])[C:14](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:15]

Parent-child relations graph

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