Ketcher 07052114582D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 11.9245 -23.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7876 -22.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9240 -24.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0617 -22.5935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6546 -23.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7873 -21.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9534 -21.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1424 -22.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5174 -22.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 -21.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6211 -20.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9351 -23.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4721 -22.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5174 -21.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3845 -23.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6669 -20.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3067 -19.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 -24.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 -24.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3853 -21.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2520 -22.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3839 -24.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3346 -19.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3810 -20.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5230 -19.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2533 -19.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5189 -18.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2539 -18.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3911 -18.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9944 -21.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9349 -21.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 6 0 0 7 4 1 0 0 0 8 4 1 0 0 0 9 5 1 1 0 0 10 7 1 0 0 0 7 11 1 0 0 0 7 31 1 1 0 0 8 12 1 6 0 0 8 13 1 0 0 0 9 14 1 0 0 0 9 15 1 0 0 0 10 13 1 0 0 0 10 16 1 0 0 0 10 30 1 6 0 0 11 17 1 0 0 0 12 18 1 0 0 0 12 19 2 0 0 0 14 20 1 0 0 0 15 21 1 0 0 0 15 22 2 0 0 0 16 23 1 0 0 0 17 23 1 0 0 0 20 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 2 0 0 0 27 29 2 0 0 0 28 29 1 0 0 0 M END > CHEBI:141521 > trandolaprilat > A heterobicyclic compound that is trandolapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of the prodrug trandolapril. > 3 > trandolapril diacid; RU44403; RU-44403; RU 44403; 1-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)octahydro-1H-indole-2-carboxylic acid; (2S,3aR,7aS)-1-((S)-N-((S)-1-carboxy-3-phenylpropyl)alanyl)hexahydro-2-indolinecarboxylic acid > (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid > trandolaprilatum; trandolaprilate; trandolaprilat; trandolaprilat > C22H30N2O5 > 402.491 > 402.21547 > 0 > [H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(O)=O)[C@@]1([H])CCCC2)C(O)=O > InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1 > AHYHTSYNOHNUSH-HXFGRODQSA-N > 87679-71-8 > 8875886 > 87679-71-8 > DB14209 > C21515 > X93 > 11409646; 12736518; 17117442; 20488190; 2478763; 2551273; 25864194; 2847673; 3383998; 7527094; 7527103; 7531766; 8258671; 8396059 $$$$