Phenylalanyl-Aspartate

Properties Image MNX_ID MNXM744832 reference biggM:pheasp formula C13H15N2O5 global charge -1 mol weight 279.272 InChIKey HWMGTNOVUDIKRE-ZJUUUORDSA-M InChI InChI=1S/C13H16N2O5/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,10+/m1/s1 SMILES N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)[O-])C(=O)O MNX internals InChI (mnx) InChI=1/C13H16N2O5/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][C@H:9]([C:12](=[N:15][C@@H:10]([CH2:7][C:11](=[O:16])[OH:17])[C:13](=[O:19])[OH:20])[OH:18])[NH2:14])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3