Mrv1909 05201914282D 126132 0 0 1 0 999 V2000 6.4752 -11.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6524 -11.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1882 -10.7138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5467 -9.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3655 -10.7749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0070 -11.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4712 -12.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -12.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1127 -12.9430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2900 -13.0040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -13.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2185 -14.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 -15.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3243 -15.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 -15.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -16.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0373 -15.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -14.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 -10.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0785 -10.1540 0.0000 O 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-1.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 -2.8512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2881 -2.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7131 -3.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6471 -3.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3949 -3.8614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9021 -2.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0332 -3.4643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9713 -4.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3303 -4.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1373 -4.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3922 -3.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9073 -3.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3922 -2.5710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1373 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 -2.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 -3.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -4.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 -3.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 -2.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0753 -5.6466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6274 -6.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4344 -6.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -7.0443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9245 -7.6574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6695 -8.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 -9.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 -6.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7314 -7.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 -6.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3995 -6.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 -7.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8475 -6.3327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 -5.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0405 -6.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5115 -5.8911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2566 -5.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 -6.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8705 -5.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 -7.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -7.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3376 -7.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 7 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 12 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 21 1 6 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 31 29 1 0 0 0 0 31 32 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 31 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 42 40 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 44 48 1 0 0 0 0 42 49 1 6 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 52 50 1 0 0 0 0 52 53 1 6 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 2 0 0 0 0 62 60 1 0 0 0 0 62 63 1 6 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 64 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 67 72 1 0 0 0 0 62 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 76 74 1 0 0 0 0 76 77 1 6 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 76 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 84 82 1 0 0 0 0 84 85 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 84 90 1 6 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 93 91 1 0 0 0 0 93 94 1 6 0 0 0 94 95 1 0 0 0 0 95 96 2 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97 99 1 0 0 0 0 99100 2 0 0 0 0 95100 1 0 0 0 0 100101 1 0 0 0 0 101102 2 0 0 0 0 102103 1 0 0 0 0 103104 2 0 0 0 0 99104 1 0 0 0 0 93105 1 0 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 108106 1 0 0 0 0 108109 1 6 0 0 0 109110 1 0 0 0 0 22110 1 0 0 0 0 110111 2 0 0 0 0 108112 1 1 0 0 0 112113 1 0 0 0 0 112114 1 0 0 0 0 27115 1 6 0 0 0 115116 2 0 0 0 0 115117 1 0 0 0 0 117118 1 0 0 0 0 119117 1 6 0 0 0 119120 1 0 0 0 0 120121 1 6 0 0 0 120122 1 0 0 0 0 122123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 M END > DB14803 > drugbank > CC[C@H](C)[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CN(C)C3=C2C=CC=C3)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(N)=O > InChI=1S/C83H117N23O18S2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90)/t43-,44-,45-,53+,55-,56?,57-,58?,59-,60-,61?,62?,67?,68-,69-/m0/s1 > MUSGYEMSJUFFHT-MHLWMKJLSA-N > C83H117N23O18S2 > 1789.11 > 1787.838836367 > 23 > 243 > 184.14500059101687 > 0 > 21 > 0 > 0 > 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S,3S)-2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-7-(3-carbamimidamidopropyl)-4-{[(1S,2S)-1-carbamoyl-2-methylbutyl](methyl)carbamoyl}-25-(2-carbamoylethyl)-10-[(1H-imidazol-5-yl)methyl]-19-[(1H-indol-3-yl)methyl]-13,17-dimethyl-28-[(1-methyl-1H-indol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-31-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid > -0.03 > -5.330461484817383 > -5.03 > 1 > 7 > 2 > 9.507976028394076 > 3.644241127950253 > 11.527081815707135 > 641.75 > 475.09430000000015 > 29 > 0 > 1.66e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 > DB14803 > investigational > AMY-101 > AMY 101; Compstatin 40; Cp40; S3,S13-Cyclo(D-tyrolsyl-L-isoleucyl-L-cysteinyl-L-valyl-1-methyl-L-tryptophyl-L-glutaminyl-L-aspartyl-L-tryptophyl-N-methyl-L-glycyl-L-alanyl-L-histidyl-L-arginyl-L-cysteinyl-N-methyl-L-isoleucinamide) $$$$