Thr-Trp-Asp

Properties Image MNX_ID MNXM161611 reference chebi:73660 formula C19H24N4O7 global charge 0 mol weight 420.422 InChIKey KHTIUAKJRUIEMA-HOUAVDHOSA-N InChI InChI=1S/C19H24N4O7/c1-9(24)16(20)18(28)22-13(17(27)23-14(19(29)30)7-15(25)26)6-10-8-21-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,16,21,24H,6-7,20H2,1H3,(H,22,28)(H,23,27)(H,25,26)(H,29,30)/t9-,13+,14+,16+/m1/s1 SMILES C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C19H24N4O7/c1-9(24)16(20)18(28)22-13(17(27)23-14(19(29)30)7-15(25)26)6-10-8-21-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,16,21,24H,6-7,20H2,1H3,(H,22,28)(H,23,27)(H,25,26)(H,29,30)/t9-,13+,14+,16+/m1/s1 SMILES (mnx) [CH3:1][C@H:9]([C@@H:16]([C:18](=[N:22][C@@H:13]([CH2:6][C:10]1=[CH:8][NH:21][C:12]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]12)[C:17](=[N:23][C@@H:14]([CH2:7][C:15](=[O:25])[OH:26])[C:19](=[O:29])[OH:30])[OH:27])[OH:28])[NH2:20])[OH:24]

Parent-child relations graph

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