Ala-Lys-Tyr

Properties Image MNX_ID MNXM1120972 reference chebi:158359 formula C18H28N4O5 global charge 0 mol weight 380.445 InChIKey KQESEZXHYOUIIM-CQDKDKBSSA-N InChI InChI=1S/C18H28N4O5/c1-11(20)16(24)21-14(4-2-3-9-19)17(25)22-15(18(26)27)10-12-5-7-13(23)8-6-12/h5-8,11,14-15,23H,2-4,9-10,19-20H2,1H3,(H,21,24)(H,22,25)(H,26,27)/t11-,14-,15-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C18H28N4O5/c1-11(20)16(24)21-14(4-2-3-9-19)17(25)22-15(18(26)27)10-12-5-7-13(23)8-6-12/h5-8,11,14-15,23H,2-4,9-10,19-20H2,1H3,(H,21,24)(H,22,25)(H,26,27)/t11-,14-,15-/m0/s1 SMILES (mnx) [CH3:1][C@@H:11]([C:16](=[N:21][C@@H:14]([CH2:4][CH2:2][CH2:3][CH2:9][NH2:19])[C:17](=[N:22][C@@H:15]([CH2:10][C:12]1=[CH:6][CH:8]=[C:13]([OH:23])[CH:7]=[CH:5]1)[C:18](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:20]

Parent-child relations graph

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