Met-His-Ser

Properties Image MNX_ID MNXM1123394 reference chebi:160795 formula C14H23N5O5S global charge 0 mol weight 373.435 InChIKey BKIFWLQFOOKUCA-DCAQKATOSA-N InChI InChI=1S/C14H23N5O5S/c1-25-3-2-9(15)12(21)18-10(4-8-5-16-7-17-8)13(22)19-11(6-20)14(23)24/h5,7,9-11,20H,2-4,6,15H2,1H3,(H,16,17)(H,18,21)(H,19,22)(H,23,24)/t9-,10-,11-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)O MNX internals InChI (mnx) InChI=1/C14H23N5O5S/c1-25-3-2-9(15)12(21)18-10(4-8-5-16-7-17-8)13(22)19-11(6-20)14(23)24/h5,7,9-11,20H,2-4,6,15H2,1H3,(H,16,17)(H,18,21)(H,19,22)(H,23,24)/t9-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][S:25][CH2:3][CH2:2][C@@H:9]([C:12](=[N:18][C@@H:10]([CH2:4][C:8]1=[CH:5][N:16]=[CH:7][NH:17]1)[C:13](=[N:19][C@@H:11]([CH2:6][OH:20])[C:14](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:15]

Parent-child relations graph

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