Ala-Asn-Tyr

Properties Image MNX_ID MNXM1120635 reference chebi:158016 formula C16H22N4O6 global charge 0 mol weight 366.374 InChIKey XQJAFSDFQZPYCU-UWJYBYFXSA-N InChI InChI=1S/C16H22N4O6/c1-8(17)14(23)19-11(7-13(18)22)15(24)20-12(16(25)26)6-9-2-4-10(21)5-3-9/h2-5,8,11-12,21H,6-7,17H2,1H3,(H2,18,22)(H,19,23)(H,20,24)(H,25,26)/t8-,11-,12-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C16H22N4O6/c1-8(17)14(23)19-11(7-13(18)22)15(24)20-12(16(25)26)6-9-2-4-10(21)5-3-9/h2-5,8,11-12,21H,6-7,17H2,1H3,(H2,18,22)(H,19,23)(H,20,24)(H,25,26)/t8-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([C:14](=[N:19][C@@H:11]([CH2:7][C:13](=[NH:18])[OH:22])[C:15](=[N:20][C@@H:12]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:21])[CH:4]=[CH:2]1)[C:16](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:17]

Parent-child relations graph

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