Ala-Ala-Phe

Properties Image MNX_ID MNXM166910 reference sabiorkM:20810 formula C15H21N3O4 global charge 0 mol weight 307.35 InChIKey PIPTUBPKYFRLCP-UHFFFAOYSA-N InChI InChI=1S/C15H21N3O4/c1-9(16)13(19)17-10(2)14(20)18-12(15(21)22)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22) SMILES CC(N)C(O)=NC(C)C(O)=NC(CC1=CC=CC=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C15H21N3O4/c1-9(16)13(19)17-10(2)14(20)18-12(15(21)22)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t9?,10?,12? SMILES (mnx) [CH3:1][CH:9]([C:13](=[N:17][CH:10]([CH3:2])[C:14](=[N:18][CH:12]([CH2:8][C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:15](=[O:21])[OH:22])[OH:20])[OH:19])[NH2:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0