Ile-Phe-Val

Properties Image MNX_ID MNXM1121300 reference chebi:158688 formula C20H31N3O4 global charge 0 mol weight 377.485 InChIKey XQLGNKLSPYCRMZ-HJWJTTGWSA-N InChI InChI=1S/C20H31N3O4/c1-5-13(4)16(21)19(25)22-15(11-14-9-7-6-8-10-14)18(24)23-17(12(2)3)20(26)27/h6-10,12-13,15-17H,5,11,21H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)/t13-,15-,16-,17-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)O)C(C)C MNX internals InChI (mnx) InChI=1/C20H31N3O4/c1-5-13(4)16(21)19(25)22-15(11-14-9-7-6-8-10-14)18(24)23-17(12(2)3)20(26)27/h6-10,12-13,15-17H,5,11,21H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)/t13-,15-,16-,17-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:13]([CH3:4])[C@@H:16]([C:19](=[N:22][C@@H:15]([CH2:11][C:14]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)[C:18](=[N:23][C@@H:17]([CH:12]([CH3:2])[CH3:3])[C:20](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:21]

Parent-child relations graph

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