Ile-Ala-His

Properties Image MNX_ID MNXM1120760 reference chebi:158142 formula C15H25N5O4 global charge 0 mol weight 339.396 InChIKey YPWHUFAAMNHMGS-QSFUFRPTSA-N InChI InChI=1S/C15H25N5O4/c1-4-8(2)12(16)14(22)19-9(3)13(21)20-11(15(23)24)5-10-6-17-7-18-10/h6-9,11-12H,4-5,16H2,1-3H3,(H,17,18)(H,19,22)(H,20,21)(H,23,24)/t8-,9-,11-,12-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C15H25N5O4/c1-4-8(2)12(16)14(22)19-9(3)13(21)20-11(15(23)24)5-10-6-17-7-18-10/h6-9,11-12H,4-5,16H2,1-3H3,(H,17,18)(H,19,22)(H,20,21)(H,23,24)/t8-,9-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:8]([CH3:2])[C@@H:12]([C:14](=[N:19][C@@H:9]([CH3:3])[C:13](=[N:20][C@@H:11]([CH2:5][C:10]1=[CH:6][N:17]=[CH:7][NH:18]1)[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