Met-Asp-Asp

Properties Image MNX_ID MNXM1123172 reference chebi:160572 formula C13H21N3O8S global charge 0 mol weight 379.391 InChIKey TUSOIZOVPJCMFC-FXQIFTODSA-N InChI InChI=1S/C13H21N3O8S/c1-25-3-2-6(14)11(21)15-7(4-9(17)18)12(22)16-8(13(23)24)5-10(19)20/h6-8H,2-5,14H2,1H3,(H,15,21)(H,16,22)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES CSCC[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/C13H21N3O8S/c1-25-3-2-6(14)11(21)15-7(4-9(17)18)12(22)16-8(13(23)24)5-10(19)20/h6-8H,2-5,14H2,1H3,(H,15,21)(H,16,22)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH3:1][S:25][CH2:3][CH2:2][C@@H:6]([C:11](=[N:15][C@@H:7]([CH2:4][C:9](=[O:17])[OH:18])[C:12](=[N:16][C@@H:8]([CH2:5][C:10](=[O:19])[OH:20])[C:13](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:14]

Parent-child relations graph

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