Ile-His-Thr

Properties Image MNX_ID MNXM1121094 reference chebi:158481 formula C16H27N5O5 global charge 0 mol weight 369.422 InChIKey URWXDJAEEGBADB-TUBUOCAGSA-N InChI InChI=1S/C16H27N5O5/c1-4-8(2)12(17)15(24)20-11(5-10-6-18-7-19-10)14(23)21-13(9(3)22)16(25)26/h6-9,11-13,22H,4-5,17H2,1-3H3,(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t8-,9+,11-,12-,13-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C16H27N5O5/c1-4-8(2)12(17)15(24)20-11(5-10-6-18-7-19-10)14(23)21-13(9(3)22)16(25)26/h6-9,11-13,22H,4-5,17H2,1-3H3,(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t8-,9+,11-,12-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:8]([CH3:2])[C@@H:12]([C:15](=[N:20][C@@H:11]([CH2:5][C:10]1=[CH:6][N:18]=[CH:7][NH:19]1)[C:14](=[N:21][C@@H:13]([C@@H:9]([CH3:3])[OH:22])[C:16](=[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) 0 in models (compartimentalized) 0