Ile-Asp-Ser

Properties Image MNX_ID MNXM1120892 reference chebi:158278 formula C13H23N3O7 global charge 0 mol weight 333.341 InChIKey DCQMJRSOGCYKTR-GHCJXIJMSA-N InChI InChI=1S/C13H23N3O7/c1-3-6(2)10(14)12(21)15-7(4-9(18)19)11(20)16-8(5-17)13(22)23/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t6-,7-,8-,10-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O MNX internals InChI (mnx) InChI=1/C13H23N3O7/c1-3-6(2)10(14)12(21)15-7(4-9(18)19)11(20)16-8(5-17)13(22)23/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t6-,7-,8-,10-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:6]([CH3:2])[C@@H:10]([C:12](=[N:15][C@@H:7]([CH2:4][C:9](=[O:18])[OH:19])[C:11](=[N:16][C@@H:8]([CH2:5][OH:17])[C:13](=[O:22])[OH:23])[OH:20])[OH:21])[NH2:14]

Parent-child relations graph

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