Asp-Thr-Ile

Properties Image MNX_ID MNXM1123524 reference chebi:160925 formula C14H25N3O7 global charge 0 mol weight 347.368 InChIKey KBJVTFWQWXCYCQ-IUKAMOBKSA-N InChI InChI=1S/C14H25N3O7/c1-4-6(2)10(14(23)24)16-13(22)11(7(3)18)17-12(21)8(15)5-9(19)20/h6-8,10-11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t6-,7+,8-,10-,11-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H25N3O7/c1-4-6(2)10(14(23)24)16-13(22)11(7(3)18)17-12(21)8(15)5-9(19)20/h6-8,10-11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t6-,7+,8-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:6]([CH3:2])[C@@H:10]([C:14](=[O:23])[OH:24])[N:16]=[C:13]([C@H:11]([C@@H:7]([CH3:3])[OH:18])[N:17]=[C:12]([C@H:8]([CH2:5][C:9](=[O:19])[OH:20])[NH2:15])[OH:21])[OH:22]

Parent-child relations graph

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