Ile-Val-His

Properties Image MNX_ID MNXM1121517 reference chebi:158905 formula C17H29N5O4 global charge 0 mol weight 367.45 InChIKey JCGMFFQQHJQASB-PYJNHQTQSA-N InChI InChI=1S/C17H29N5O4/c1-5-10(4)13(18)15(23)22-14(9(2)3)16(24)21-12(17(25)26)6-11-7-19-8-20-11/h7-10,12-14H,5-6,18H2,1-4H3,(H,19,20)(H,21,24)(H,22,23)(H,25,26)/t10-,12-,13-,14-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)C(C)C MNX internals InChI (mnx) InChI=1/C17H29N5O4/c1-5-10(4)13(18)15(23)22-14(9(2)3)16(24)21-12(17(25)26)6-11-7-19-8-20-11/h7-10,12-14H,5-6,18H2,1-4H3,(H,19,20)(H,21,24)(H,22,23)(H,25,26)/t10-,12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:10]([CH3:4])[C@@H:13]([C:15](=[N:22][C@@H:14]([CH:9]([CH3:2])[CH3:3])[C:16](=[N:21][C@@H:12]([CH2:6][C:11]1=[CH:7][N:19]=[CH:8][NH:20]1)[C:17](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:18]

Parent-child relations graph

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