5289424 -OEChem-10051719433D 62 64 0 1 0 0 0 0 0999 V2000 -0.5310 0.6054 1.5113 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5927 0.4809 -1.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 -0.9930 -0.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5768 1.7557 0.0253 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 -0.5508 -1.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 0.2724 -0.1698 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -1.3858 0.3822 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 1.5389 -0.0462 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4612 -1.4560 0.2384 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2226 2.6070 -0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -2.5529 1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.0918 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 3.2387 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 1.2745 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4436 -2.9823 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2609 2.0802 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 2.6883 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0279 4.3728 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -4.0247 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 -2.3366 1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8226 -0.9393 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 3.2722 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1418 4.9567 0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 -4.4212 -0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8466 -2.7332 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 4.4064 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -3.7754 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 -0.5564 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4642 -0.6784 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 0.3919 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 -1.8622 -0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2528 0.2785 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 -1.9754 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9795 -0.9050 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 1.8594 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -1.6493 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0358 2.1851 -1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 3.4015 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -2.2295 2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4228 -3.4347 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4094 -0.3638 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 -1.6323 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1455 1.8492 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0897 3.1453 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 1.8147 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 4.8090 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6837 -4.5338 -0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 -1.5267 1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 2.8443 -0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0866 5.8393 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9219 -5.2321 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7346 -2.2299 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 4.8608 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9507 -4.0838 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 -1.1704 -2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 0.4857 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1807 2.2908 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4373 1.3183 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7873 -2.7038 -1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6659 1.1116 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 -2.8972 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9587 -0.9934 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 2 0 0 0 0 3 21 1 0 0 0 0 3 28 1 0 0 0 0 4 16 1 0 0 0 0 4 57 1 0 0 0 0 5 21 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 42 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 22 1 0 0 0 0 17 45 1 0 0 0 0 18 23 2 0 0 0 0 18 46 1 0 0 0 0 19 24 1 0 0 0 0 19 47 1 0 0 0 0 20 25 2 0 0 0 0 20 48 1 0 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > DB01871 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OACUXIVGLLCILS-ZEQRLZLVSA-N/SDF?record_type=3d > [H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CO > InChI=1S/C27H28N2O5/c30-18-25(31)23(16-20-10-4-1-5-11-20)28-26(32)24(17-21-12-6-2-7-13-21)29-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24,30H,16-19H2,(H,28,32)(H,29,33)/t23-,24-/m0/s1 > OACUXIVGLLCILS-ZEQRLZLVSA-N > C27H28N2O5 > 460.5216 > 460.199822016 > 4 > 62 > -3.3388814155315512e-06 > 48.97327255833997 > 1 > 3 > 0 > 1 > benzyl N-[(1S)-1-{[(2S)-4-hydroxy-3-oxo-1-phenylbutan-2-yl]carbamoyl}-2-phenylethyl]carbamate > 2.72 > 3.872410756333333 > -5.47 > 1 > 0 > 3 > 0 > 13.515354798310284 > 12.53580750411405 > -3.3124798843799916 > 104.73 > 127.96600000000004 > 12 > 1 > 1.55e-03 g/l > tetrahydrofolic acid > 0 $$$$