Asp-Tyr-Ala

Properties Image MNX_ID MNXM1123587 reference chebi:160988 formula C16H21N3O7 global charge 0 mol weight 367.358 InChIKey PLNJUJGNLDSFOP-UWJYBYFXSA-N InChI InChI=1S/C16H21N3O7/c1-8(16(25)26)18-15(24)12(6-9-2-4-10(20)5-3-9)19-14(23)11(17)7-13(21)22/h2-5,8,11-12,20H,6-7,17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,11-,12-/m0/s1 SMILES C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H21N3O7/c1-8(16(25)26)18-15(24)12(6-9-2-4-10(20)5-3-9)19-14(23)11(17)7-13(21)22/h2-5,8,11-12,20H,6-7,17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([C:16](=[O:25])[OH:26])[N:18]=[C:15]([C@H:12]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:20])[CH:4]=[CH:2]1)[N:19]=[C:14]([C@H:11]([CH2:7][C:13](=[O:21])[OH:22])[NH2:17])[OH:23])[OH:24]

Parent-child relations graph

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