Val-Pro-Trp

Properties Image MNX_ID MNXM744978 reference chebi:166350 formula C21H28N4O4 global charge 0 mol weight 400.479 InChIKey NSUUANXHLKKHQB-BZSNNMDCSA-N InChI InChI=1S/C21H28N4O4/c1-12(2)18(22)20(27)25-9-5-8-17(25)19(26)24-16(21(28)29)10-13-11-23-15-7-4-3-6-14(13)15/h3-4,6-7,11-12,16-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t16-,17-,18-/m0/s1 SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MNX internals InChI (mnx) InChI=1/C21H28N4O4/c1-12(2)18(22)20(27)25-9-5-8-17(25)19(26)24-16(21(28)29)10-13-11-23-15-7-4-3-6-14(13)15/h3-4,6-7,11-12,16-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t16-,17-,18-/m0/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[C@@H:18]([C:20]([N:25]1[CH2:9][CH2:5][CH2:8][C@H:17]1[C:19](=[N:24][C@@H:16]([CH2:10][C:13]1=[CH:11][NH:23][C:15]2=[CH:7][CH:4]=[CH:3][CH:6]=[C:14]12)[C:21](=[O:28])[OH:29])[OH:26])=[O:27])[NH2:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3