Trandolapril-d5 Diketopiperazine

Properties Image MNX_ID MNXM161729 reference hmdb:HMDB0061178 formula C24H32N2O4 global charge 0 mol weight 412.53 InChIKey AKUCMKAPHCGRFV-OSTWSGHESA-N InChI InChI=1S/C24H32N2O4/c1-3-30-24(29)20(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-19-12-8-7-11-18(19)15-21(26)23(25)28/h4-6,9-10,16,18-21H,3,7-8,11-15H2,1-2H3/t16-,18+,19-,20+,21-/m0/s1 SMILES CCOC(=O)[C@@H](CCC1=CC=CC=C1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C MNX internals InChI (mnx) InChI=1/C24H32N2O4/c1-3-30-24(29)20(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-19-12-8-7-11-18(19)15-21(26)23(25)28/h4-6,9-10,16,18-21H,3,7-8,11-15H2,1-2H3/t16-,18+,19-,20+,21-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][O:30][C:24]([C@@H:20]([CH2:14][CH2:13][C:17]1=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]1)[N:25]1[C@@H:16]([CH3:2])[C:22](=[O:27])[N:26]2[C@H:19]3[CH2:12][CH2:8][CH2:7][CH2:11][C@@H:18]3[CH2:15][C@H:21]2[C:23]1=[O:28])=[O:29]

Parent-child relations graph

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