Valyl-Histidyl-Asparagine

Properties Image MNX_ID MNXM744974 reference biggM:valhisasn formula C15H24N6O5 global charge 0 mol weight 368.394 InChIKey OACSGBOREVRSME-HOSYDEDBSA-N InChI InChI=1S/C15H24N6O5/c1-7(2)12(17)14(24)20-9(3-8-5-18-6-19-8)13(23)21-10(15(25)26)4-11(16)22/h5-7,9-10,12H,3-4,17H2,1-2H3,(H2,16,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10+,12+/m0/s1 SMILES CC(C)[C@@H](N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C15H24N6O5/c1-7(2)12(17)14(24)20-9(3-8-5-18-6-19-8)13(23)21-10(15(25)26)4-11(16)22/h5-7,9-10,12H,3-4,17H2,1-2H3,(H2,16,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10+,12+/m0/s1 SMILES (mnx) [CH3:1][CH:7]([CH3:2])[C@H:12]([C:14](=[N:20][C@@H:9]([CH2:3][C:8]1=[CH:5][N:18]=[CH:6][NH:19]1)[C:13](=[N:21][C@H:10]([CH2:4][C:11](=[NH:16])[OH:22])[C:15](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3