Ala-Asp-Arg

Properties Image MNX_ID MNXM1120641 reference chebi:158022 formula C13H24N6O6 global charge 0 mol weight 360.371 InChIKey PBAMJJXWDQXOJA-FXQIFTODSA-N InChI InChI=1S/C13H24N6O6/c1-6(14)10(22)19-8(5-9(20)21)11(23)18-7(12(24)25)3-2-4-17-13(15)16/h6-8H,2-5,14H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)(H4,15,16,17)/t6-,7-,8-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O MNX internals InChI (mnx) InChI=1/C13H24N6O6/c1-6(14)10(22)19-8(5-9(20)21)11(23)18-7(12(24)25)3-2-4-17-13(15)16/h6-8H,2-5,14H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)(H4,15,16,17)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH3:1][C@@H:6]([C:10](=[N:19][C@@H:8]([CH2:5][C:9](=[O:20])[OH:21])[C:11](=[N:18][C@@H:7]([CH2:3][CH2:2][CH2:4][NH:17][C:13](=[NH:15])[NH2:16])[C:12](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:14]

Parent-child relations graph

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