446917 -OEChem-10051720343D 80 82 0 1 0 0 0 0 0999 V2000 0.4340 -2.0056 -3.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 0.9132 1.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 -1.0399 1.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5089 -0.9030 0.9635 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 1.5154 -1.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.5162 -0.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 1.7562 1.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 1.4514 -1.3759 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2632 0.3280 -2.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 -1.0857 -1.9876 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0040 2.8488 -1.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0359 -1.6092 -0.6966 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1661 3.9484 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 -3.0428 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 3.6296 0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 5.2910 -1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 -3.2394 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3598 1.2363 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -1.2379 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3696 -3.0598 1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 -3.6011 -1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 1.3727 0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6863 -1.2011 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -3.2418 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -3.7833 -0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 -3.6036 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 1.1996 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3242 1.6736 1.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0753 1.3274 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 1.8013 1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -0.2279 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 1.6283 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8491 -0.9388 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6998 1.1666 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 -0.2551 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8887 1.8504 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8482 -2.4320 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4593 1.9462 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0577 1.1395 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 1.1686 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7984 0.3144 -2.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7902 0.5819 -3.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 -1.0792 -1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0551 2.7728 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 3.1590 -2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 -0.9588 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 4.0571 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -3.3475 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 -3.7521 -1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 1.8307 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -1.7354 -1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 2.7495 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5196 4.4641 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 3.4529 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 5.5557 -2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 6.0933 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 5.2600 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5159 -1.9604 -3.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -2.7743 2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4171 -3.7509 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8007 -0.4577 -0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9602 -2.1864 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 -3.1001 2.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -4.0658 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -3.7445 0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 0.9310 -1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 1.8162 2.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7482 1.1825 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0765 2.0366 2.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9565 -0.7947 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9204 2.9367 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6006 1.6328 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3284 1.9762 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4111 -2.7955 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2815 -2.8382 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8638 -2.8353 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9524 1.5555 1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 1.8995 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 3.0010 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9831 1.6720 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 58 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 23 1 0 0 0 0 4 31 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 50 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 6 51 1 0 0 0 0 7 32 1 0 0 0 0 7 72 1 0 0 0 0 7 73 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 47 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 59 1 0 0 0 0 21 25 2 0 0 0 0 21 60 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 26 2 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 28 30 2 0 0 0 0 28 67 1 0 0 0 0 29 32 2 0 0 0 0 29 68 1 0 0 0 0 30 32 1 0 0 0 0 30 69 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 34 36 2 0 0 0 0 34 38 1 0 0 0 0 35 39 2 0 0 0 0 35 70 1 0 0 0 0 36 39 1 0 0 0 0 36 71 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 M END > DB04378 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/APJAEXGNDLFGPD-AWCRTANDSA-N/SDF?record_type=3d > CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=C(N)C=C1 > InChI=1S/C32H41N3O4/c1-21(2)17-27(34-32(38)25-13-15-26(33)16-14-25)19-29(36)28(18-24-11-6-5-7-12-24)35-30(37)20-39-31-22(3)9-8-10-23(31)4/h5-16,21,27-29,36H,17-20,33H2,1-4H3,(H,34,38)(H,35,37)/t27-,28-,29-/m0/s1 > APJAEXGNDLFGPD-AWCRTANDSA-N > C32H41N3O4 > 531.6856 > 531.309706815 > 5 > 80 > 0.0001970840070179472 > 59.74982646975991 > 0 > 4 > 0 > 0 > N-[(2S,3S,5S)-5-[(4-aminophenyl)formamido]-3-hydroxy-7-methyl-1-phenyloctan-2-yl]-2-(2,6-dimethylphenoxy)acetamide > 4.14 > 4.957456738333332 > -6.15 > 1 > 0 > 3 > 0 > 14.539957741043352 > 13.556130635702397 > 3.2954810309728453 > 113.67999999999999 > 156.12969999999993 > 13 > 0 > 3.77e-04 g/l > biotin > 0 $$$$