Ala-Tyr-Phe

Properties Image MNX_ID MNXM1121240 reference chebi:158627 formula C21H25N3O5 global charge 0 mol weight 399.447 InChIKey JNJHNBXBGNJESC-KKXDTOCCSA-N InChI InChI=1S/C21H25N3O5/c1-13(22)19(26)23-17(11-15-7-9-16(25)10-8-15)20(27)24-18(21(28)29)12-14-5-3-2-4-6-14/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t13-,17-,18-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C21H25N3O5/c1-13(22)19(26)23-17(11-15-7-9-16(25)10-8-15)20(27)24-18(21(28)29)12-14-5-3-2-4-6-14/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t13-,17-,18-/m0/s1 SMILES (mnx) [CH3:1][C@@H:13]([C:19](=[N:23][C@@H:17]([CH2:11][C:15]1=[CH:8][CH:10]=[C:16]([OH:25])[CH:9]=[CH:7]1)[C:20](=[N:24][C@@H:18]([CH2:12][C:14]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:21](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:22]

Parent-child relations graph

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