Ala-Phe-Ile

Properties Image MNX_ID MNXM1121034 reference chebi:158421 formula C18H27N3O4 global charge 0 mol weight 349.431 InChIKey RUXQNKVQSKOOBS-JURCDPSOSA-N InChI InChI=1S/C18H27N3O4/c1-4-11(2)15(18(24)25)21-17(23)14(20-16(22)12(3)19)10-13-8-6-5-7-9-13/h5-9,11-12,14-15H,4,10,19H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t11-,12-,14-,15-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)N)C(=O)O MNX internals InChI (mnx) InChI=1/C18H27N3O4/c1-4-11(2)15(18(24)25)21-17(23)14(20-16(22)12(3)19)10-13-8-6-5-7-9-13/h5-9,11-12,14-15H,4,10,19H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t11-,12-,14-,15-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:11]([CH3:2])[C@@H:15]([C:18](=[O:24])[OH:25])[N:21]=[C:17]([C@H:14]([CH2:10][C:13]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)[N:20]=[C:16]([C@H:12]([CH3:3])[NH2:19])[OH:22])[OH:23]

Parent-child relations graph

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