Gln-Met-Ile

Properties Image MNX_ID MNXM1124945 reference chebi:162354 formula C16H30N4O5S global charge 0 mol weight 390.506 InChIKey DOMHVQBSRJNNKD-ZPFDUUQYSA-N InChI InChI=1S/C16H30N4O5S/c1-4-9(2)13(16(24)25)20-15(23)11(7-8-26-3)19-14(22)10(17)5-6-12(18)21/h9-11,13H,4-8,17H2,1-3H3,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t9-,10-,11-,13-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H30N4O5S/c1-4-9(2)13(16(24)25)20-15(23)11(7-8-26-3)19-14(22)10(17)5-6-12(18)21/h9-11,13H,4-8,17H2,1-3H3,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t9-,10-,11-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:9]([CH3:2])[C@@H:13]([C:16](=[O:24])[OH:25])[N:20]=[C:15]([C@H:11]([CH2:7][CH2:8][S:26][CH3:3])[N:19]=[C:14]([C@H:10]([CH2:5][CH2:6][C:12](=[NH:18])[OH:21])[NH2:17])[OH:22])[OH:23]

Parent-child relations graph

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