Ile-Met-Arg

Properties Image MNX_ID MNXM1121225 reference chebi:158612 formula C17H34N6O4S global charge 0 mol weight 418.564 InChIKey UFRXVQGGPNSJRY-CYDGBPFRSA-N InChI InChI=1S/C17H34N6O4S/c1-4-10(2)13(18)15(25)22-11(7-9-28-3)14(24)23-12(16(26)27)6-5-8-21-17(19)20/h10-13H,4-9,18H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)(H4,19,20,21)/t10-,11-,12-,13-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O MNX internals InChI (mnx) InChI=1/C17H34N6O4S/c1-4-10(2)13(18)15(25)22-11(7-9-28-3)14(24)23-12(16(26)27)6-5-8-21-17(19)20/h10-13H,4-9,18H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)(H4,19,20,21)/t10-,11-,12-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:10]([CH3:2])[C@@H:13]([C:15](=[N:22][C@@H:11]([CH2:7][CH2:9][S:28][CH3:3])[C:14](=[N:23][C@@H:12]([CH2:6][CH2:5][CH2:8][NH:21][C:17](=[NH:19])[NH2:20])[C:16](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:18]

Parent-child relations graph

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