His-Thr-Val

Properties Image MNX_ID MNXM1120624 reference chebi:158005 formula C15H25N5O5 global charge 0 mol weight 355.395 InChIKey VXZZUXWAOMWWJH-QTKMDUPCSA-N InChI InChI=1S/C15H25N5O5/c1-7(2)11(15(24)25)19-14(23)12(8(3)21)20-13(22)10(16)4-9-5-17-6-18-9/h5-8,10-12,21H,4,16H2,1-3H3,(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t8-,10+,11+,12+/m1/s1 SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CN=CN1)[C@@H](C)O)C(=O)O MNX internals InChI (mnx) InChI=1/C15H25N5O5/c1-7(2)11(15(24)25)19-14(23)12(8(3)21)20-13(22)10(16)4-9-5-17-6-18-9/h5-8,10-12,21H,4,16H2,1-3H3,(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t8-,10+,11+,12+/m1/s1 SMILES (mnx) [CH3:1][CH:7]([CH3:2])[C@@H:11]([C:15](=[O:24])[OH:25])[N:19]=[C:14]([C@H:12]([C@@H:8]([CH3:3])[OH:21])[N:20]=[C:13]([C@H:10]([CH2:4][C:9]1=[CH:5][N:17]=[CH:6][NH:18]1)[NH2:16])[OH:22])[OH:23]

Parent-child relations graph

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