Leu-His-Ile

Properties Image MNX_ID MNXM1121853 reference chebi:159242 formula C18H31N5O4 global charge 0 mol weight 381.477 InChIKey XQXGNBFMAXWIGI-MXAVVETBSA-N InChI InChI=1S/C18H31N5O4/c1-5-11(4)15(18(26)27)23-17(25)14(7-12-8-20-9-21-12)22-16(24)13(19)6-10(2)3/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t11-,13-,14-,15-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CC(C)C)C(=O)O MNX internals InChI (mnx) InChI=1/C18H31N5O4/c1-5-11(4)15(18(26)27)23-17(25)14(7-12-8-20-9-21-12)22-16(24)13(19)6-10(2)3/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t11-,13-,14-,15-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:11]([CH3:4])[C@@H:15]([C:18](=[O:26])[OH:27])[N:23]=[C:17]([C@H:14]([CH2:7][C:12]1=[CH:8][N:20]=[CH:9][NH:21]1)[N:22]=[C:16]([C@H:13]([CH2:6][CH:10]([CH3:2])[CH3:3])[NH2:19])[OH:24])[OH:25]

Parent-child relations graph

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