Phe-Ala-Asn

Properties Image MNX_ID MNXM1123846 reference chebi:161248 formula C16H22N4O5 global charge 0 mol weight 350.375 InChIKey WSXKXSBOJXEZDV-DLOVCJGASA-N InChI InChI=1S/C16H22N4O5/c1-9(14(22)20-12(16(24)25)8-13(18)21)19-15(23)11(17)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,17H2,1H3,(H2,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,11-,12-/m0/s1 SMILES C[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H22N4O5/c1-9(14(22)20-12(16(24)25)8-13(18)21)19-15(23)11(17)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,17H2,1H3,(H2,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][C@@H:9]([C:14](=[N:20][C@@H:12]([CH2:8][C:13](=[NH:18])[OH:21])[C:16](=[O:24])[OH:25])[OH:22])[N:19]=[C:15]([C@H:11]([CH2:7][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[NH2:17])[OH:23]

Parent-child relations graph

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