Mrv1572004021619092D 90 93 0 0 0 0 999 V2000 -7.8429 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7627 1.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 1.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 -2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -3.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2751 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7197 2.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 -1.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0831 -4.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 5.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 4.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 5.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 4.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 6.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6947 7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7121 -2.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7804 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4927 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 2.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 5.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 3.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 6.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4116 -5.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3323 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 7.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0328 0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7121 4.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 6.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7923 5.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 2.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0133 2.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 6.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8724 -1.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6826 0.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 3.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 3.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 5.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7895 -3.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5136 -6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 7.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6024 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 2.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 5.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -0.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 2.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 4.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0918 2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5495 -4.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 -2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2736 -6.5695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0918 -1.7627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 -3.1659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4445 7.5233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -2.6981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 3.2477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6515 -5.1090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 2.1350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2081 6.4284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 7.1481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 1.0436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 -1.1390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9019 2.4468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 3.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7984 5.8768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 2.1350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6024 -3.1659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3323 6.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8557 -6.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 8.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7923 3.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 4.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3323 -0.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 3.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 4.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 3.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2074 -3.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9526 -2.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8429 2.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4304 1.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8429 0.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6054 1.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8348 -8.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 13 11 1 0 0 0 0 14 12 2 0 0 0 0 16 15 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 29 1 1 0 0 0 0 29 2 1 0 0 0 0 29 19 1 0 0 0 0 30 11 2 0 0 0 0 30 12 1 0 0 0 0 30 20 1 0 0 0 0 31 21 1 0 0 0 0 31 23 2 0 0 0 0 32 22 1 0 0 0 0 32 24 2 0 0 0 0 33 13 2 0 0 0 0 33 14 1 0 0 0 0 34 7 2 0 0 0 0 34 31 1 0 0 0 0 35 8 2 0 0 0 0 35 34 1 0 0 0 0 36 15 1 0 0 0 0 37 9 1 0 0 0 0 38 19 1 0 0 0 0 39 20 1 0 0 0 0 40 21 1 0 0 0 0 41 22 1 0 0 0 0 42 27 1 0 0 0 0 43 10 1 0 0 0 0 44 25 1 0 0 0 0 45 16 1 0 0 0 0 46 26 1 0 0 0 0 47 39 1 0 0 0 0 48 36 1 0 0 0 0 49 38 1 0 0 0 0 50 40 1 0 0 0 0 51 41 1 0 0 0 0 52 42 1 0 0 0 0 53 43 1 0 0 0 0 54 37 1 0 0 0 0 56 44 2 0 0 0 0 57 55 2 0 0 0 0 58 55 1 0 0 0 0 59 24 1 0 0 0 0 59 28 2 0 0 0 0 60 17 1 0 0 0 0 60 55 1 0 0 0 0 61 23 1 0 0 0 0 61 35 1 0 0 0 0 62 25 1 4 0 0 0 62 53 2 0 0 0 0 63 26 1 4 0 0 0 63 47 2 0 0 0 0 64 28 1 0 0 0 0 64 32 1 0 0 0 0 65 36 1 0 0 0 0 65 45 2 0 0 0 0 66 38 1 4 0 0 0 66 46 2 0 0 0 0 67 37 1 4 0 0 0 67 49 2 0 0 0 0 68 39 1 4 0 0 0 68 52 2 0 0 0 0 69 40 1 4 0 0 0 69 51 2 0 0 0 0 70 41 1 4 0 0 0 70 48 2 0 0 0 0 71 42 1 4 0 0 0 71 50 2 0 0 0 0 72 18 1 0 0 0 0 72 43 1 0 0 0 0 72 54 1 0 0 0 0 73 27 1 0 0 0 0 74 33 1 0 0 0 0 75 44 1 0 0 0 0 76 45 1 0 0 0 0 77 46 1 0 0 0 0 78 47 1 0 0 0 0 79 48 1 0 0 0 0 80 49 1 0 0 0 0 81 50 1 0 0 0 0 82 51 1 0 0 0 0 83 52 1 0 0 0 0 84 53 1 0 0 0 0 85 54 2 0 0 0 0 87 86 1 0 0 0 0 88 87 2 0 0 0 0 89 87 1 0 0 0 0 M END > DBSALT001155 > drugbank > O.CC(O)=O.CC(C)CC(N=C(O)CN=C(O)C(CC1=CC=C(O)C=C1)N=C(O)C(CO)N=C(O)C(CC1=CNC2=CC=CC=C12)N=C(O)C(CC1=CN=CN1)N=C(O)C1CCC(O)=N1)C(O)=NC(CCCNC(N)=N)C(=O)N1CCCC1C(O)=NCC(O)=N > InChI=1S/C55H75N17O13.C2H4O2.H2O/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;1-2(3)4;/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);1H3,(H,3,4);1H2 > OOBWZCWPKJOGPF-UHFFFAOYSA-N > C57H81N17O16 > 1260.378 > 1259.604719596 > 27 > 171 > 121.76604746034187 > 0 > 18 > 0 > 0 > N-[5-carbamimidamido-1-(2-{[(C-hydroxycarbonimidoyl)methyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-1-oxopentan-2-yl]-2-({2-[(2-{[1,3-dihydroxy-2-({1-hydroxy-2-[(1-hydroxy-2-{[hydroxy(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]amino}-3-(1H-imidazol-5-yl)propylidene)amino]-3-(1H-indol-3-yl)propylidene}amino)propylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-1-hydroxyethylidene}amino)-4-methylpentanimidic acid acetic acid hydrate > 1.10 > 0.4613062773322806 > -4.37 > 1 > 6 > 0 > 3.231486181607876 > 2.7827935172115854 > 11.89523950625309 > 504.5300000000003 > 328.42999999999984 > 31 > 0 > 5.01e-02 g/l > acetic acid gonadotropin-releasing hormone hydrate > 0 > DBSALT001155 > Gonadorelin acetate > DB00644 > Gonadorelin > 52699-48-6 > 2RG1XQ1NYJ $$$$