Ala-Trp-Ser

Properties Image MNX_ID MNXM1121204 reference chebi:158591 formula C17H22N4O5 global charge 0 mol weight 362.386 InChIKey TVUFMYKTYXTRPY-HERUPUMHSA-N InChI InChI=1S/C17H22N4O5/c1-9(18)15(23)20-13(16(24)21-14(8-22)17(25)26)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,13-14,19,22H,6,8,18H2,1H3,(H,20,23)(H,21,24)(H,25,26)/t9-,13-,14-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)O MNX internals InChI (mnx) InChI=1/C17H22N4O5/c1-9(18)15(23)20-13(16(24)21-14(8-22)17(25)26)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,13-14,19,22H,6,8,18H2,1H3,(H,20,23)(H,21,24)(H,25,26)/t9-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][C@@H:9]([C:15](=[N:20][C@@H:13]([CH2:6][C:10]1=[CH:7][NH:19][C:12]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]12)[C:16](=[N:21][C@@H:14]([CH2:8][OH:22])[C:17](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:18]

Parent-child relations graph

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