5287977 -OEChem-10051721053D 70 73 0 1 0 0 0 0 0999 V2000 3.4653 -3.4412 0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1819 -0.9399 -1.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 2.4252 -0.5146 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4221 0.2486 1.8909 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 -0.6827 0.4543 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 1.7069 0.9498 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2779 -0.5424 0.0328 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2364 0.6410 -0.2477 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9736 -1.5507 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3892 -0.2868 -0.2782 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4492 -1.3809 -1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6432 -1.6763 -2.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3253 0.2833 0.7939 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0956 -2.1576 -2.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9121 -0.4709 2.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4084 -0.6500 1.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -2.7931 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 -0.9192 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 4.0622 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 2.6504 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0949 4.5009 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1586 4.9874 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -1.1672 0.7447 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4210 -2.6628 0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6783 -3.4015 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 -2.9004 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4134 1.3796 0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3238 0.1287 0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6246 0.4683 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8563 2.3515 -0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1437 0.2798 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6861 1.5098 -1.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 0.4616 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7692 -0.3547 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2055 -1.8550 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.7365 -2.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8775 -2.4091 -2.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 0.1296 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5881 -1.8151 -3.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2211 -3.2430 -2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 0.0689 2.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 -1.4397 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8693 0.2113 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 -1.5621 2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -3.1664 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 2.0241 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 4.5008 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6893 5.2086 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3697 3.7976 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 4.6005 -1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 6.0228 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 -0.6429 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 -3.0927 1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3088 -0.6095 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 -4.4623 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -3.3657 -0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5487 -3.0105 -0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 -3.9634 2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4676 -2.3466 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5557 -2.6039 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2005 1.9065 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 0.9718 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3954 -0.4879 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0221 2.8506 -1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4966 3.1271 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2322 0.1657 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7123 -0.6244 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0789 1.1999 -2.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5353 2.0804 -2.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0951 0.4312 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 20 2 0 0 0 0 4 28 2 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 46 1 0 0 0 0 7 23 1 0 0 0 0 7 28 1 0 0 0 0 7 54 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 70 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 61 1 0 0 0 0 29 31 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 M END > DB07582 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GCDRFILPPBOJLM-UFYCRDLUSA-N/SDF?record_type=3d > [H][C@](NC(=O)NC1CCCC1)(C(C)C)C(=O)N1CC[C@]([H])(NC(=O)C2CC2)[C@@]1([H])C1(CCC1)C=O > InChI=1S/C24H38N4O4/c1-15(2)19(27-23(32)25-17-6-3-4-7-17)22(31)28-13-10-18(26-21(30)16-8-9-16)20(28)24(14-29)11-5-12-24/h14-20H,3-13H2,1-2H3,(H,26,30)(H2,25,27,32)/t18-,19-,20-/m0/s1 > GCDRFILPPBOJLM-UFYCRDLUSA-N > C24H38N4O4 > 446.5829 > 446.289305724 > 4 > 70 > 7.544608511083267e-09 > 49.19615879413196 > 1 > 3 > 0 > 1 > N-[(2R,3S)-1-[(2S)-2-[(cyclopentylcarbamoyl)amino]-3-methylbutanoyl]-2-(1-formylcyclobutyl)pyrrolidin-3-yl]cyclopropanecarboxamide > 1.77 > 1.4587235136666672 > -3.10 > 1 > 0 > 4 > 0 > 15.398448128415389 > 14.664312428138137 > -0.5722599154817045 > 107.60999999999999 > 119.30139999999996 > 8 > 1 > 3.52e-01 g/l > tetrahydrofolic acid > 0 $$$$