5362124 -OEChem-07041820083D 59 61 0 1 0 0 0 0 0999 V2000 -0.7095 1.9626 1.5907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9589 -1.8286 -1.4404 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8227 -2.9805 0.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5932 1.6425 -1.9673 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 3.8314 -2.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2246 -0.5476 1.7508 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 1.3654 0.4219 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1977 -0.3903 1.4402 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0431 -0.9557 2.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 -0.5324 2.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 -0.5465 0.5330 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4852 1.0894 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -0.5448 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 0.4111 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 -0.2069 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 -0.1565 -0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 2.6973 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 -1.9349 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0764 -1.4743 0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3523 0.4404 -1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 0.2392 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7093 -1.4493 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3538 -0.4871 -1.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 2.7998 -1.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 1.5841 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 -0.7393 0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 -3.0632 -2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5084 1.9503 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0842 -0.3729 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 0.9719 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9221 -2.7746 -3.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 -0.9549 0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9791 -2.0518 2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 -0.6493 3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0907 -1.1829 3.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 0.4775 2.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 0.1918 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 0.1906 2.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -0.9379 1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 0.7666 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 -1.1328 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9827 0.5434 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 3.4257 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8262 2.9753 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3883 -2.2147 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 1.1637 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4892 -2.1698 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8552 -0.4558 -2.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4645 2.3556 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4923 -1.7901 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0758 -3.5607 -1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -3.7109 -1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7963 2.9974 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8206 -1.1346 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4782 1.2571 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 -2.1123 -3.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 -2.2598 -3.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8558 -3.6987 -4.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 1.7343 -2.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 18 1 0 0 0 0 2 27 1 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 59 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 38 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 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 24 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 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 47 1 0 0 0 0 23 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 26 50 1 0 0 0 0 27 31 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END > DB00542 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XPCFTKFZXHTYIP-PMACEKPBSA-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)OCC > InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1 > XPCFTKFZXHTYIP-PMACEKPBSA-N > C24H28N2O5 > 424.4895 > 424.199822016 > 5 > 59 > 44.976843104597805 > 1 > 2 > 0 > 1 > 2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid > 1.14 > 1.5374391462736676 > -4.61 > 1 > 3 > -1 > 18.005407018196603 > 3.5270801541778045 > 5.359401274650192 > 95.94000000000001 > 115.22790000000003 > 10 > 1 > 1.05e-02 g/l > benazepril > 0 $$$$