beta-aspartyl dipeptide

Properties Image MNX_ID MNXM16879 reference metacycM:CPD-12991 formula C6H8N2O5* global charge -1 mol weight   InChIKey   InChI   SMILES [*]C(NC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t3?,4-/m0/s1/i1+1 SMILES (mnx) [13CH3:1][CH:3]([C:6](=[O:11])[OH:12])[N:9]=[C:5]([CH2:2][C@@H:4]([C:7](=[O:13])[OH:14])[NH2:8])[OH:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0