Asp-Asp-Met

Properties Image MNX_ID MNXM1123023 reference chebi:160421 formula C13H21N3O8S global charge 0 mol weight 379.391 InChIKey VHWNKSJHQFZJTH-FXQIFTODSA-N InChI InChI=1S/C13H21N3O8S/c1-25-3-2-7(13(23)24)15-12(22)8(5-10(19)20)16-11(21)6(14)4-9(17)18/h6-8H,2-5,14H2,1H3,(H,15,22)(H,16,21)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H21N3O8S/c1-25-3-2-7(13(23)24)15-12(22)8(5-10(19)20)16-11(21)6(14)4-9(17)18/h6-8H,2-5,14H2,1H3,(H,15,22)(H,16,21)(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:7]([C:13](=[O:23])[OH:24])[N:15]=[C:12]([C@H:8]([CH2:5][C:10](=[O:19])[OH:20])[N:16]=[C:11]([C@H:6]([CH2:4][C:9](=[O:17])[OH:18])[NH2:14])[OH:21])[OH:22]

Parent-child relations graph

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