Met-His-Thr

Properties Image MNX_ID MNXM1123396 reference chebi:160797 formula C15H25N5O5S global charge 0 mol weight 387.462 InChIKey SCKPOOMCTFEVTN-QTKMDUPCSA-N InChI InChI=1S/C15H25N5O5S/c1-8(21)12(15(24)25)20-14(23)11(5-9-6-17-7-18-9)19-13(22)10(16)3-4-26-2/h6-8,10-12,21H,3-5,16H2,1-2H3,(H,17,18)(H,19,22)(H,20,23)(H,24,25)/t8-,10+,11+,12+/m1/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C15H25N5O5S/c1-8(21)12(15(24)25)20-14(23)11(5-9-6-17-7-18-9)19-13(22)10(16)3-4-26-2/h6-8,10-12,21H,3-5,16H2,1-2H3,(H,17,18)(H,19,22)(H,20,23)(H,24,25)/t8-,10+,11+,12+/m1/s1 SMILES (mnx) [CH3:1][C@H:8]([C@@H:12]([C:15](=[O:24])[OH:25])[N:20]=[C:14]([C@H:11]([CH2:5][C:9]1=[CH:6][N:17]=[CH:7][NH:18]1)[N:19]=[C:13]([C@H:10]([CH2:3][CH2:4][S:26][CH3:2])[NH2:16])[OH:22])[OH:23])[OH:21]

Parent-child relations graph

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