Ile-Pro-His

Properties Image MNX_ID MNXM1121318 reference chebi:158706 formula C17H27N5O4 global charge 0 mol weight 365.434 InChIKey BJECXJHLUJXPJQ-PYJNHQTQSA-N InChI InChI=1S/C17H27N5O4/c1-3-10(2)14(18)16(24)22-6-4-5-13(22)15(23)21-12(17(25)26)7-11-8-19-9-20-11/h8-10,12-14H,3-7,18H2,1-2H3,(H,19,20)(H,21,23)(H,25,26)/t10-,12-,13-,14-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C17H27N5O4/c1-3-10(2)14(18)16(24)22-6-4-5-13(22)15(23)21-12(17(25)26)7-11-8-19-9-20-11/h8-10,12-14H,3-7,18H2,1-2H3,(H,19,20)(H,21,23)(H,25,26)/t10-,12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:10]([CH3:2])[C@@H:14]([C:16]([N:22]1[CH2:6][CH2:4][CH2:5][C@H:13]1[C:15](=[N:21][C@@H:12]([CH2:7][C:11]1=[CH:8][N:19]=[CH:9][NH:20]1)[C:17](=[O:25])[OH:26])[OH:23])=[O:24])[NH2:18]

Parent-child relations graph

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