5463984 -OEChem-06241812193D 53 55 0 1 0 0 0 0 0999 V2000 1.8531 -2.4728 -1.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 -3.3168 0.7839 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 -3.7439 -1.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 1.0665 -2.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 0.9140 -3.7002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -2.3364 -0.2064 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -0.4870 -0.5112 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -1.5069 0.3429 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9005 -1.9814 1.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -1.4221 2.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 -2.3022 0.6584 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7429 -1.5658 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.0301 1.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 0.4414 0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 -0.8539 0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6165 -0.2070 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5874 -0.2754 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 0.9759 2.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 1.7872 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -3.1846 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1729 1.1892 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7536 2.3108 2.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 2.7138 1.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 0.6191 -2.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 1.3626 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 2.2740 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0488 2.6531 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 3.5645 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1955 3.7540 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.4570 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9579 -3.0768 1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 -1.6679 2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 -1.5736 3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 -1.9995 1.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 -2.7490 1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 -3.2995 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -0.2080 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 -0.8676 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7672 -0.1737 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3699 -0.8283 -1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 0.1453 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8178 -1.2400 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.6716 3.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 2.1663 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 3.0308 3.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2956 3.7515 1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2064 0.5113 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 2.1360 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5321 -3.8963 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1137 2.8007 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 4.4217 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5959 4.7589 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4524 1.6476 -3.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 20 1 0 0 0 0 2 49 1 0 0 0 0 3 20 2 0 0 0 0 4 24 1 0 0 0 0 4 53 1 0 0 0 0 5 24 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 36 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 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 15 1 0 0 0 0 11 20 1 0 0 0 0 11 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 21 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 24 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END > DB14125 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MADRIHWFJGRSBP-ROUUACIJSA-N/SDF?record_type=3d > [H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(O)=O > InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1 > MADRIHWFJGRSBP-ROUUACIJSA-N > C22H24N2O5 > 396.4364 > 396.168521888 > 6 > 53 > 41.40556083825862 > 1 > 3 > 0 > 1 > (2S)-2-{[(3S)-1-(carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-4-phenylbutanoic acid > 0.62 > 0.1501761034806577 > -4.14 > 1 > 3 > -1 > 4.04541831829213 > 3.0840319362638535 > 7.963036854505513 > 106.94000000000001 > 105.71019999999996 > 8 > 1 > 2.85e-02 g/l > benazeprilat > 0 $$$$