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-0.9295 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 -0.2499 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2942 0.9418 2.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 2.9549 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 3.1602 2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9069 2.4010 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3574 1.6623 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 0.5490 1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 2.2643 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8654 1.7408 -1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3195 1.9906 -3.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7747 -0.2398 -4.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 0.9174 -5.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9696 -0.4070 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7089 1.1379 -2.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4301 3.2084 -1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 4.1665 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 2.8208 2.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 0.4549 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1764 -0.5661 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 1.5196 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9298 -1.3543 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3243 -1.4112 1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2254 0.3389 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8330 -0.7109 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4529 -0.8633 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9781 1.6064 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3250 1.1953 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4077 2.5517 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8335 2.6272 -0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4802 0.9503 -2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 18 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 5 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 24 20 1 0 0 0 0 44 39 1 0 0 0 0 54 48 1 0 0 0 0 1 56 1 0 0 0 0 1 57 1 0 0 0 0 1 58 1 0 0 0 0 2 59 1 0 0 0 0 2 60 1 0 0 0 0 3 61 1 1 0 0 0 4 62 1 0 0 0 0 4 63 1 0 0 0 0 4 64 1 0 0 0 0 5 65 1 6 0 0 0 6 66 1 0 0 0 0 9 67 1 1 0 0 0 10 68 1 0 0 0 0 10 69 1 0 0 0 0 11 70 1 0 0 0 0 11 71 1 0 0 0 0 14 72 1 0 0 0 0 15 73 1 0 0 0 0 18 74 1 6 0 0 0 19 75 1 0 0 0 0 19 76 1 0 0 0 0 21 77 1 0 0 0 0 23 78 1 0 0 0 0 24 79 1 0 0 0 0 25 80 1 0 0 0 0 28 81 1 1 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 84 1 1 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 31 87 1 0 0 0 0 32 88 1 0 0 0 0 32 89 1 0 0 0 0 32 90 1 0 0 0 0 33 91 1 0 0 0 0 36 92 1 6 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 38 95 1 0 0 0 0 38 96 1 0 0 0 0 40 97 1 0 0 0 0 41 98 1 0 0 0 0 42 99 1 0 0 0 0 43100 1 0 0 0 0 44101 1 0 0 0 0 47102 1 0 0 0 0 48103 1 6 0 0 0 49104 1 0 0 0 0 49105 1 0 0 0 0 50106 1 0 0 0 0 50107 1 0 0 0 0 51108 1 0 0 0 0 51109 1 0 0 0 0 52110 1 0 0 0 0 52111 1 0 0 0 0 53112 1 0 0 0 0 M END > NP0009026 > NP-MRD > [H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]1([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] > InChI=1S/C38H57N9O8/c1-5-23(4)32(38(55)44-27-13-9-10-16-41-34(27)51)47-35(52)28(14-15-31(48)49)43-37(54)30(19-25-20-40-21-42-25)46-36(53)29(17-22(2)3)45-33(50)26(39)18-24-11-7-6-8-12-24/h6-8,11-12,20-23,26-30,32H,5,9-10,13-19,39H2,1-4H3,(H,40,42)(H,41,51)(H,43,54)(H,44,55)(H,45,50)(H,46,53)(H,47,52)(H,48,49)/t23-,26+,27-,28+,29-,30-,32+/m0/s1 > GPDRWULXOJRYOR-KOWARKBQSA-N > C38H57N9O8 > 767.929 > 767.433009831 > 10 > 112 > 81.99566523698854 > 0 > 9 > 0 > 0 > (4R)-4-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(1H-imidazol-5-yl)propanamido]-4-{[(1R,2S)-2-methyl-1-{[(3S)-2-oxoazepan-3-yl]carbamoyl}butyl]carbamoyl}butanoic acid > -1.18 > -2.1440447141758296 > -4.46 > 1 > 3 > 0 > 11.649022607926868 > 3.6150602817999173 > 7.753356177575984 > 266.6 > 201.3379 > 21 > 0 > 2.65e-02 g/l > (4R)-4-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(3H-imidazol-4-yl)propanamido]-4-{[(1R,2S)-2-methyl-1-{[(3S)-2-oxoazepan-3-yl]carbamoyl}butyl]carbamoyl}butanoic acid > 0 > NP0009026 > Calpinactam $$$$