L-Valyl-L-aspartate

Properties Image MNX_ID MNXM1371135 reference sabiorkM:26830 formula C9H16N2O5 global charge 0 mol weight 232.236 InChIKey OBTCMSPFOITUIJ-UHFFFAOYSA-N InChI InChI=1S/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16) SMILES CC(C)C(N)C(O)=NC(CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5?,7? SMILES (mnx) [CH3:1][CH:4]([CH3:2])[CH:7]([C:8](=[N:11][CH:5]([CH2:3][C:6](=[O:12])[OH:13])[C:9](=[O:15])[OH:16])[OH:14])[NH2:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0