Leu-His-Met

Properties Image MNX_ID MNXM1121859 reference chebi:159248 formula C17H29N5O4S global charge 0 mol weight 399.517 InChIKey MPSBSKHOWJQHBS-IHRRRGAJSA-N InChI InChI=1S/C17H29N5O4S/c1-10(2)6-12(18)15(23)22-14(7-11-8-19-9-20-11)16(24)21-13(17(25)26)4-5-27-3/h8-10,12-14H,4-7,18H2,1-3H3,(H,19,20)(H,21,24)(H,22,23)(H,25,26)/t12-,13-,14-/m0/s1 SMILES CSCC[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/C17H29N5O4S/c1-10(2)6-12(18)15(23)22-14(7-11-8-19-9-20-11)16(24)21-13(17(25)26)4-5-27-3/h8-10,12-14H,4-7,18H2,1-3H3,(H,19,20)(H,21,24)(H,22,23)(H,25,26)/t12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][CH:10]([CH3:2])[CH2:6][C@@H:12]([C:15](=[N:22][C@@H:14]([CH2:7][C:11]1=[CH:8][N:19]=[CH:9][NH:20]1)[C:16](=[N:21][C@@H:13]([CH2:4][CH2:5][S:27][CH3:3])[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