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C 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 4.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0044 10.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 10.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 9.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 7.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2155 8.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 7.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8833 10.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 6.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 3.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0209 6.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 13.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 2.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 7.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 3.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 1.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 8.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0987 10.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0209 5.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 13.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 12.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 -6.1899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 -8.2525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 -9.9025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 -10.7274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 -9.4899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 -11.1399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9818 3.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7352 -9.9025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9818 -1.3308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 -13.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 -7.4274 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 -7.0149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4855 10.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 6.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 4.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 3.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 6.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 4.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2593 9.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 7.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 5.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 3.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 6.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 4.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 5.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 6.2809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 13.5306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 12.1716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5732 12.4688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 9.5379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9272 11.7039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 8.7560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 7.5183 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 7.9309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 6.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 5.0434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 4.2185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 5.4559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 3.8060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7352 5.0434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9818 13.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 1.3308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 117118 1 0 0 0 0 37117 1 0 0 0 0 139140 1 0 0 0 0 87139 1 0 0 0 0 38118 1 0 0 0 0 88140 1 0 0 0 0 23 40 2 0 0 0 0 24 41 2 0 0 0 0 89100 2 0 0 0 0 90101 2 0 0 0 0 25 42 2 0 0 0 0 91102 2 0 0 0 0 26 53 2 0 0 0 0 92120 2 0 0 0 0 27 54 2 0 0 0 0 93121 2 0 0 0 0 28 43 2 0 0 0 0 94103 2 0 0 0 0 29 44 2 0 0 0 0 95104 2 0 0 0 0 30 55 2 0 0 0 0 31 56 2 0 0 0 0 96122 2 0 0 0 0 97123 2 0 0 0 0 32 57 2 0 0 0 0 98124 2 0 0 0 0 33 45 2 0 0 0 0 99106 2 0 0 0 0 22 39 1 0 0 0 0 83113 1 0 0 0 0 46107 1 0 0 0 0 36107 1 0 0 0 0 41107 1 0 0 0 0 125138 1 0 0 0 0 86138 1 0 0 0 0 101138 1 0 0 0 0 40 79 1 0 0 0 0 67 79 1 0 0 0 0 100136 1 0 0 0 0 119136 1 0 0 0 0 47108 1 0 0 0 0 53108 1 0 0 0 0 126141 1 0 0 0 0 120141 1 0 0 0 0 42 80 1 0 0 0 0 15 80 1 0 0 0 0 102137 1 0 0 0 0 72137 1 0 0 0 0 48109 1 0 0 0 0 54109 1 0 0 0 0 127142 1 0 0 0 0 121142 1 0 0 0 0 70135 1 0 0 0 0 105135 2 0 0 0 0 13 77 1 0 0 0 0 49110 1 0 0 0 0 56110 1 0 0 0 0 128143 1 0 0 0 0 122143 1 0 0 0 0 43114 1 0 0 0 0 103146 1 0 0 0 0 44115 1 0 0 0 0 50 78 1 0 0 0 0 55111 1 0 0 0 0 52111 1 0 0 0 0 129132 1 0 0 0 0 123144 1 0 0 0 0 131144 1 0 0 0 0 104147 1 0 0 0 0 51112 1 0 0 0 0 57112 1 0 0 0 0 130145 1 0 0 0 0 124145 1 0 0 0 0 105133 1 0 0 0 0 105134 1 0 0 0 0 45116 1 0 0 0 0 106148 1 0 0 0 0 34 46 1 0 0 0 0 40 46 1 0 0 0 0 84125 1 0 0 0 0 100125 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 41 47 1 0 0 0 0 101126 1 0 0 0 0 37 47 1 0 0 0 0 87126 1 0 0 0 0 10 67 1 0 0 0 0 42 67 1 0 0 0 0 68119 1 0 0 0 0 102119 1 0 0 0 0 10 11 1 0 0 0 0 68 69 1 0 0 0 0 11 12 1 0 0 0 0 69 70 1 0 0 0 0 48 53 1 0 0 0 0 120127 1 0 0 0 0 12 13 1 0 0 0 0 14 48 1 0 0 0 0 71127 1 0 0 0 0 14 43 1 0 0 0 0 71103 1 0 0 0 0 15 44 1 0 0 0 0 72104 1 0 0 0 0 49 54 1 0 0 0 0 121128 1 0 0 0 0 16 49 1 0 0 0 0 73128 1 0 0 0 0 38 50 1 0 0 0 0 88129 1 0 0 0 0 16 17 1 0 0 0 0 73 74 1 0 0 0 0 50 55 1 0 0 0 0 123129 1 0 0 0 0 17 45 1 0 0 0 0 74106 1 0 0 0 0 51 56 1 0 0 0 0 18 51 1 0 0 0 0 122130 1 0 0 0 0 75130 1 0 0 0 0 52 57 1 0 0 0 0 19 52 1 0 0 0 0 124131 1 0 0 0 0 76131 1 0 0 0 0 18 20 1 0 0 0 0 75 81 1 0 0 0 0 19 21 1 0 0 0 0 76 82 1 0 0 0 0 1 20 2 0 0 0 0 2 20 1 0 0 0 0 58 81 2 0 0 0 0 59 81 1 0 0 0 0 3 21 2 0 0 0 0 4 21 1 0 0 0 0 60 82 2 0 0 0 0 61 82 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 58 62 1 0 0 0 0 59 63 2 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 60 64 1 0 0 0 0 61 65 2 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 62 66 2 0 0 0 0 63 66 1 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 64 83 2 0 0 0 0 65 83 1 0 0 0 0 M END > DB00067 > drugbank > NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O.NC1CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O > InChI=1S/C46H65N15O12S2.C46H65N13O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25;47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53);1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69) > JLTCWSBVQSZVLT-UHFFFAOYSA-N > C92H130N28O24S4 > 2140.46 > 2138.869561874 > 16 > 278 > 1.8168618858009677 > 108.28953623837687 > 0 > 14 > 0 > 0 > 2-({1-[19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl}formamido)-N-(carbamoylmethyl)-5-[(diaminomethylidene)amino]pentanamide; 6-amino-2-({1-[19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl}formamido)-N-(carbamoylmethyl)hexanamide > -1.44 > -7.249321714160335 > -3.94 > 1 > 2 > 8 > 2 > 10.772805389461295 > 7.653390683755394 > 11.503852979198717 > 463.9299999999997 > 272.5932000000002 > 38 > 0 > 1.24e-01 g/l > (2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide > 0 > DB00067 > BTD00110; BIOD00110; DB09392 > approved > Vasopressin > Vasopressin, unspecified; Vasopressina > Pitressin; Pitressin Inj 10 Unit/0.5ml; Pressyn Ar; Vasopressin; Vasopressin Inj 20unit/ml USP; Vasopressin Injection USP; Vasopressin Injection, USP; Vasopressin in 0.9% Sodium Chloride; Vasostrict > Argipressin $$$$