Phe-Ala-Tyr

Properties Image MNX_ID MNXM1123872 reference chebi:161274 formula C21H25N3O5 global charge 0 mol weight 399.447 InChIKey NOFBJKKOPKJDCO-KKXDTOCCSA-N InChI InChI=1S/C21H25N3O5/c1-13(23-20(27)17(22)11-14-5-3-2-4-6-14)19(26)24-18(21(28)29)12-15-7-9-16(25)10-8-15/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,27)(H,24,26)(H,28,29)/t13-,17-,18-/m0/s1 SMILES C[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C21H25N3O5/c1-13(23-20(27)17(22)11-14-5-3-2-4-6-14)19(26)24-18(21(28)29)12-15-7-9-16(25)10-8-15/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,27)(H,24,26)(H,28,29)/t13-,17-,18-/m0/s1 SMILES (mnx) [CH3:1][C@@H:13]([C:19](=[N:24][C@@H:18]([CH2:12][C:15]1=[CH:8][CH:10]=[C:16]([OH:25])[CH:9]=[CH:7]1)[C:21](=[O:28])[OH:29])[OH:26])[N:23]=[C:20]([C@H:17]([CH2:11][C:14]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[NH2:22])[OH:27]

Parent-child relations graph

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