Ala-Ile-Ala

Properties Image MNX_ID MNXM1120857 reference chebi:158243 formula C12H23N3O4 global charge 0 mol weight 273.333 InChIKey PNALXAODQKTNLV-JBDRJPRFSA-N InChI InChI=1S/C12H23N3O4/c1-5-6(2)9(15-10(16)7(3)13)11(17)14-8(4)12(18)19/h6-9H,5,13H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)/t6-,7-,8-,9-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)O MNX internals InChI (mnx) InChI=1/C12H23N3O4/c1-5-6(2)9(15-10(16)7(3)13)11(17)14-8(4)12(18)19/h6-9H,5,13H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)/t6-,7-,8-,9-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:6]([CH3:2])[C@@H:9]([C:11](=[N:14][C@@H:8]([CH3:4])[C:12](=[O:18])[OH:19])[OH:17])[N:15]=[C:10]([C@H:7]([CH3:3])[NH2:13])[OH:16]

Parent-child relations graph

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