Ile-Met-Glu

Properties Image MNX_ID MNXM1121235 reference chebi:158622 formula C16H29N3O6S global charge 0 mol weight 391.49 InChIKey RCMNUBZKIIJCOI-ZPFDUUQYSA-N InChI InChI=1S/C16H29N3O6S/c1-4-9(2)13(17)15(23)18-10(7-8-26-3)14(22)19-11(16(24)25)5-6-12(20)21/h9-11,13H,4-8,17H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,11-,13-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H29N3O6S/c1-4-9(2)13(17)15(23)18-10(7-8-26-3)14(22)19-11(16(24)25)5-6-12(20)21/h9-11,13H,4-8,17H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,11-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:9]([CH3:2])[C@@H:13]([C:15](=[N:18][C@@H:10]([CH2:7][CH2:8][S:26][CH3:3])[C:14](=[N:19][C@@H:11]([CH2:5][CH2:6][C:12](=[O:20])[OH:21])[C:16](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:17]

Parent-child relations graph

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