L-beta-aspartyl-L-phenylalanine

Properties Image MNX_ID MNXM59335 reference chebi:183602 formula C13H16N2O5 global charge 0 mol weight 280.28 InChIKey KDGAYJIGGCDHPH-UHFFFAOYSA-N InChI InChI=1S/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20) SMILES NC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20)/t9?,10? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][CH:10]([C:13](=[O:19])[OH:20])[N:15]=[C:11]([CH2:7][CH:9]([C:12](=[O:17])[OH:18])[NH2:14])[OH:16])[CH:5]=[CH:3]1

Parent-child relations graph

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