Phenylalanyl-Lysyl-Alanine

Properties Image MNX_ID MNXM744837 reference biggM:phelysala formula C18H29N4O4 global charge 1 mol weight 365.454 InChIKey DNAXXTQSTKOHFO-YUELXQCFSA-O InChI InChI=1S/C18H28N4O4/c1-12(18(25)26)21-17(24)15(9-5-6-10-19)22-16(23)14(20)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,19-20H2,1H3,(H,21,24)(H,22,23)(H,25,26)/p+1/t12-,14-,15+/m1/s1 SMILES C[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C18H28N4O4/c1-12(18(25)26)21-17(24)15(9-5-6-10-19)22-16(23)14(20)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,19-20H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t12-,14-,15+/m1/s1 SMILES (mnx) [CH3:1][C@H:12]([C:18](=[O:25])[OH:26])[N:21]=[C:17]([C@H:15]([CH2:9][CH2:5][CH2:6][CH2:10][NH2:19])[N:22]=[C:16]([C@@H:14]([CH2:11][C:13]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[NH2:20])[OH:23])[OH:24]

Parent-child relations graph

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