Ala-Ala-Trp

Properties Image MNX_ID MNXM1120554 reference chebi:157935 formula C17H22N4O4 global charge 0 mol weight 346.387 InChIKey KQFRUSHJPKXBMB-BHDSKKPTSA-N InChI InChI=1S/C17H22N4O4/c1-9(18)15(22)20-10(2)16(23)21-14(17(24)25)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,8-10,14,19H,7,18H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t9-,10-,14-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MNX internals InChI (mnx) InChI=1/C17H22N4O4/c1-9(18)15(22)20-10(2)16(23)21-14(17(24)25)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,8-10,14,19H,7,18H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t9-,10-,14-/m0/s1 SMILES (mnx) [CH3:1][C@@H:9]([C:15](=[N:20][C@@H:10]([CH3:2])[C:16](=[N:21][C@@H:14]([CH2:7][C:11]1=[CH:8][NH:19][C:13]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]12)[C:17](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:18]

Parent-child relations graph

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