Ile-Thr-Gln

Properties Image MNX_ID MNXM1121390 reference chebi:158778 formula C15H28N4O6 global charge 0 mol weight 360.411 InChIKey NAFIFZNBSPWYOO-RWRJDSDZSA-N InChI InChI=1S/C15H28N4O6/c1-4-7(2)11(17)13(22)19-12(8(3)20)14(23)18-9(15(24)25)5-6-10(16)21/h7-9,11-12,20H,4-6,17H2,1-3H3,(H2,16,21)(H,18,23)(H,19,22)(H,24,25)/t7-,8+,9-,11-,12-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C15H28N4O6/c1-4-7(2)11(17)13(22)19-12(8(3)20)14(23)18-9(15(24)25)5-6-10(16)21/h7-9,11-12,20H,4-6,17H2,1-3H3,(H2,16,21)(H,18,23)(H,19,22)(H,24,25)/t7-,8+,9-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:7]([CH3:2])[C@@H:11]([C:13](=[N:19][C@@H:12]([C@@H:8]([CH3:3])[OH:20])[C:14](=[N:18][C@@H:9]([CH2:5][CH2:6][C:10](=[NH:16])[OH:21])[C:15](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:17]

Parent-child relations graph

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