Ile-Ile-Glu

Properties Image MNX_ID MNXM1121115 reference chebi:158502 formula C17H31N3O6 global charge 0 mol weight 373.45 InChIKey SJLVSMMIFYTSGY-GRLWGSQLSA-N InChI InChI=1S/C17H31N3O6/c1-5-9(3)13(18)15(23)20-14(10(4)6-2)16(24)19-11(17(25)26)7-8-12(21)22/h9-11,13-14H,5-8,18H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t9-,10-,11-,13-,14-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC MNX internals InChI (mnx) InChI=1/C17H31N3O6/c1-5-9(3)13(18)15(23)20-14(10(4)6-2)16(24)19-11(17(25)26)7-8-12(21)22/h9-11,13-14H,5-8,18H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t9-,10-,11-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:9]([CH3:3])[C@@H:13]([C:15](=[N:20][C@@H:14]([C@@H:10]([CH3:4])[CH2:6][CH3:2])[C:16](=[N:19][C@@H:11]([CH2:7][CH2:8][C:12](=[O:21])[OH:22])[C:17](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:18]

Parent-child relations graph

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