Val-Tyr-Ile

Properties Image MNX_ID MNXM1128380 reference chebi:166422 formula C20H31N3O5 global charge 0 mol weight 393.484 InChIKey GTACFKZDQFTVAI-STECZYCISA-N InChI InChI=1S/C20H31N3O5/c1-5-12(4)17(20(27)28)23-18(25)15(22-19(26)16(21)11(2)3)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)O MNX internals InChI (mnx) InChI=1/C20H31N3O5/c1-5-12(4)17(20(27)28)23-18(25)15(22-19(26)16(21)11(2)3)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:12]([CH3:4])[C@@H:17]([C:20](=[O:27])[OH:28])[N:23]=[C:18]([C@H:15]([CH2:10][C:13]1=[CH:7][CH:9]=[C:14]([OH:24])[CH:8]=[CH:6]1)[N:22]=[C:19]([C@H:16]([CH:11]([CH3:2])[CH3:3])[NH2:21])[OH:26])[OH:25]

Parent-child relations graph

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