5362129 -OEChem-11281913363D 62 64 0 1 0 0 0 0 0999 V2000 1.9038 2.8172 0.4708 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -2.6276 -0.9358 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 -1.2947 0.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1679 2.2009 -0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6811 2.9105 1.3925 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 0.8583 -0.3638 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 2.0246 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 -0.0049 -0.4423 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1604 1.1235 0.1176 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1864 -0.7043 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 -0.8621 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 1.0443 1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 -0.3822 -1.1277 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4931 0.1480 1.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 1.7824 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 -1.4517 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 1.4639 -0.8683 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4575 2.0666 -2.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 1.7584 -0.6094 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1474 0.2509 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 2.3617 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1302 -0.5534 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 -2.0160 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7664 -2.4410 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 -2.9123 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2525 2.7308 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -3.7940 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 -4.2652 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5503 2.4732 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -4.7060 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 0.4058 -0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4769 2.1048 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 -0.2477 -2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -1.7720 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6672 -1.6231 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3784 -1.3755 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 2.0343 2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 0.6044 2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -0.2655 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 0.7318 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4594 -0.3266 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 0.3824 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 3.0338 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 1.8519 -2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 1.6711 -2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 3.1594 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -3.3505 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 2.2745 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -0.2061 -1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1423 0.1228 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 -0.4643 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8443 -0.1304 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -1.7378 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3929 -2.5773 0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1114 3.8089 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2786 2.2405 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0898 -4.1372 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 -4.9752 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4028 2.8656 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5322 2.9418 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6958 1.3996 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 -5.7593 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 1 0 0 0 0 2 47 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 29 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > DB00178 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HDACQVRGBOVJII-JBDAPHQKSA-N/SDF?record_type=3d > [H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC > InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1 > HDACQVRGBOVJII-JBDAPHQKSA-N > C23H32N2O5 > 416.5106 > 416.231122144 > 5 > 62 > 44.78767688316564 > 1 > 2 > 0 > 1 > (2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid > 0.92 > 1.4738114378387788 > -4.03 > 1 > 3 > -1 > 3.7489298896886947 > 5.203591906368744 > 95.93999999999998 > 111.18680000000002 > 10 > 1 > 3.90e-02 g/l > ramipril > 0 $$$$