Ile-His-Cys

Properties Image MNX_ID MNXM1121071 reference chebi:158458 formula C15H25N5O4S global charge 0 mol weight 371.463 InChIKey JNDYZNJRRNFYIR-VGDYDELISA-N InChI InChI=1S/C15H25N5O4S/c1-3-8(2)12(16)14(22)19-10(4-9-5-17-7-18-9)13(21)20-11(6-25)15(23)24/h5,7-8,10-12,25H,3-4,6,16H2,1-2H3,(H,17,18)(H,19,22)(H,20,21)(H,23,24)/t8-,10-,11-,12-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)O MNX internals InChI (mnx) InChI=1/C15H25N5O4S/c1-3-8(2)12(16)14(22)19-10(4-9-5-17-7-18-9)13(21)20-11(6-25)15(23)24/h5,7-8,10-12,25H,3-4,6,16H2,1-2H3,(H,17,18)(H,19,22)(H,20,21)(H,23,24)/t8-,10-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:8]([CH3:2])[C@@H:12]([C:14](=[N:19][C@@H:10]([CH2:4][C:9]1=[CH:5][N:17]=[CH:7][NH:18]1)[C:13](=[N:20][C@@H:11]([CH2:6][SH:25])[C:15](=[O:23])[OH:24])[OH:21])[OH:22])[NH2:16]

Parent-child relations graph

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