5362116 -OEChem-07031817433D 65 67 0 1 0 0 0 0 0999 V2000 -0.8487 -0.4716 -1.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3245 2.3144 1.5619 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 2.9814 1.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0374 4.4272 1.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 3.1729 -1.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1925 1.2967 -0.6919 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 1.0552 -1.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 0.4276 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -0.5095 -1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 -0.4714 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2124 -1.6779 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -1.6562 0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 0.7468 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 1.7139 -1.8465 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4382 2.7302 -0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 -2.7098 -0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 -2.6662 1.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 1.1620 -0.3755 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2866 -3.7265 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6382 -3.7048 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 2.0445 -3.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 0.0937 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 3.2571 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 -1.3597 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 2.5459 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 -2.3775 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 -2.8082 -1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 -2.8883 1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 4.2833 1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2971 -3.7496 -0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7232 -3.8295 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -4.2602 0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 4.6143 2.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 1.0272 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6648 -0.0363 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 -0.8369 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7739 0.0209 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 -0.7857 0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 2.6540 -1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9609 3.2975 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 2.9199 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 -2.7342 -1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 -2.6571 2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 1.0394 0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 1.4422 -2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9583 -4.5460 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -4.5078 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2694 1.1411 -3.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 2.7423 -3.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 2.5011 -3.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 0.2362 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 0.2654 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 -1.5149 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -1.5546 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 2.6823 2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 -2.4160 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 -2.5589 2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 5.0216 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8316 4.2940 1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9129 -4.0845 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -4.2268 2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2977 -4.9929 0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 4.5881 2.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 3.8740 3.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8433 5.6058 3.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 23 1 0 0 0 0 2 55 1 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 4 23 2 0 0 0 0 5 25 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 14 21 1 0 0 0 0 14 39 1 0 0 0 0 15 23 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 56 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 29 33 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 M END > DB13312 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WOUOLAUOZXOLJQ-MBSDFSHPSA-N/SDF?record_type=3d > CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(O)=O)C1CC2=C(C1)C=CC=C2 > InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)/t18-,23-/m0/s1 > WOUOLAUOZXOLJQ-MBSDFSHPSA-N > C26H32N2O5 > 452.551 > 452.231122138 > 5 > 65 > 49.42322774259819 > 1 > 2 > 0 > 1 > 2-[(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanamido]acetic acid > 1.69 > 2.1710674572471866 > -4.93 > 1 > 3 > -1 > 3.815302864293295 > 5.206731257918379 > 95.94000000000001 > 124.63570000000003 > 12 > 1 > 5.37e-03 g/l > delapril > 0 $$$$