beta-Asp-Ile

Properties Image MNX_ID MNXM103060 reference chebi:68601 formula C10H18N2O5 global charge 0 mol weight 246.263 InChIKey LINGSRBTYZDMNT-HAFWLYHUSA-N InChI InChI=1S/C10H18N2O5/c1-3-5(2)8(10(16)17)12-7(13)4-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t5-,6-,8-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C10H18N2O5/c1-3-5(2)8(10(16)17)12-7(13)4-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t5-,6-,8-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:5]([CH3:2])[C@@H:8]([C:10](=[O:16])[OH:17])[N:12]=[C:7]([CH2:4][C@@H:6]([C:9](=[O:14])[OH:15])[NH2:11])[OH:13]

Parent-child relations graph

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