Ile-Lys-Thr

Properties Image MNX_ID MNXM1121215 reference chebi:158602 formula C16H32N4O5 global charge 0 mol weight 360.455 InChIKey CKRFDMPBSWYOBT-PPCPHDFISA-N InChI InChI=1S/C16H32N4O5/c1-4-9(2)12(18)15(23)19-11(7-5-6-8-17)14(22)20-13(10(3)21)16(24)25/h9-13,21H,4-8,17-18H2,1-3H3,(H,19,23)(H,20,22)(H,24,25)/t9-,10+,11-,12-,13-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C16H32N4O5/c1-4-9(2)12(18)15(23)19-11(7-5-6-8-17)14(22)20-13(10(3)21)16(24)25/h9-13,21H,4-8,17-18H2,1-3H3,(H,19,23)(H,20,22)(H,24,25)/t9-,10+,11-,12-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:9]([CH3:2])[C@@H:12]([C:15](=[N:19][C@@H:11]([CH2:7][CH2:5][CH2:6][CH2:8][NH2:17])[C:14](=[N:20][C@@H:13]([C@@H:10]([CH3:3])[OH:21])[C:16](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:18]

Parent-child relations graph

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