Mrv1652310011600492D 81 84 0 0 1 0 999 V2000 5.9603 15.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7888 14.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7449 15.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 5.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9073 6.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7853 7.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 14.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 15.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 6.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2333 7.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2081 12.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7666 13.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9927 12.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5512 14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 12.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4457 12.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 5.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3728 8.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7996 13.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8104 12.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 9.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 3.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4782 10.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9089 9.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1865 14.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 13.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1643 13.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8651 10.9470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0507 5.8007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8873 11.5834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6389 12.0511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6281 12.9002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1135 10.4793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1243 9.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4796 7.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8326 13.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1573 9.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0366 11.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 4.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 10.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8434 12.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0258 12.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7266 9.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7652 7.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9528 8.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 6.2132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0804 10.6921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 13.2395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9858 8.6104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9073 3.7382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 4.5632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 11.8383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7652 6.2132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4235 12.3060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 12.3482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 10.2244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5112 10.1822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5659 8.2712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9489 13.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 14.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5442 9.9694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 2.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8212 12.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7652 4.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9311 10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 13.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1973 13.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5551 9.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 7.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1681 8.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3066 9.5880 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5220 9.3331 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 11.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 5.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0588 12.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0868 11.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 13.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 11.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3397 9.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5228 6.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 5 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 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 25 7 2 0 0 0 0 25 8 1 0 0 0 0 25 19 1 0 0 0 0 26 11 2 0 0 0 0 26 12 1 0 0 0 0 26 20 1 0 0 0 0 27 13 2 0 0 0 0 27 14 1 0 0 0 0 28 23 1 0 0 0 0 29 9 1 0 0 0 0 30 15 1 6 0 0 0 31 20 1 1 0 0 0 32 19 1 6 0 0 0 33 21 1 1 0 0 0 34 24 1 0 0 0 0 35 10 1 0 0 0 0 36 16 1 0 0 0 0 37 21 1 0 0 0 0 38 22 1 0 0 0 0 39 28 1 0 0 0 0 40 29 1 0 0 0 0 41 30 1 0 0 0 0 42 32 1 0 0 0 0 43 31 1 0 0 0 0 44 33 1 0 0 0 0 35 45 1 1 0 0 0 34 46 1 1 0 0 0 47 17 1 0 0 0 0 28 48 1 6 0 0 0 49 36 2 0 0 0 0 50 37 2 0 0 0 0 51 38 2 0 0 0 0 52 22 1 4 0 0 0 52 40 2 0 0 0 0 53 30 1 0 0 0 0 53 42 2 0 0 0 0 29 54 1 6 0 0 0 54 45 2 0 0 0 0 55 31 1 0 0 0 0 55 39 2 0 0 0 0 56 32 1 0 0 0 0 56 43 2 0 0 0 0 57 33 1 0 0 0 0 57 41 2 0 0 0 0 58 34 1 0 0 0 0 58 44 2 0 0 0 0 59 18 1 0 0 0 0 59 35 1 0 0 0 0 59 46 1 0 0 0 0 60 27 1 0 0 0 0 61 36 1 0 0 0 0 62 37 1 0 0 0 0 63 38 1 0 0 0 0 39 64 1 4 0 0 0 65 40 1 0 0 0 0 41 66 1 4 0 0 0 42 67 1 4 0 0 0 43 68 1 4 0 0 0 44 69 1 4 0 0 0 45 70 1 4 0 0 0 71 46 2 0 0 0 0 72 23 1 0 0 0 0 73 24 1 0 0 0 0 73 72 1 0 0 0 0 28 74 1 1 0 0 0 29 75 1 6 0 0 0 30 76 1 1 0 0 0 31 77 1 1 0 0 0 32 78 1 1 0 0 0 33 79 1 1 0 0 0 34 80 1 6 0 0 0 35 81 1 6 0 0 0 M END > BMDB0001980 > bmdb > [H][C@](CCCCN)(N=C(O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSSC[C@]([H])(N)C(O)=N[C@@]([H])(CC2=CC=C(O)C=C2)C(O)=N[C@@]([H])(CC2=CC=CC=C2)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N1)C(O)=NCC(O)=N > InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(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/h1-3,7-8,11-14,28-35,60H,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)/t28-,29+,30-,31-,32-,33-,34-,35-/m0/s1 > BJFIDCADFRDPIO-OGNLOKFRSA-N > C46H65N13O12S2 > 1056.23 > 1055.431706933 > 24 > 138 > 106.55680001401393 > 0 > 16 > 0 > 0 > (2R)-6-amino-2-({[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-benzyl-6,9,12,15,18-pentahydroxy-10-[2-(C-hydroxycarbonimidoyl)ethyl]-7-[(C-hydroxycarbonimidoyl)methyl]-16-[(4-hydroxyphenyl)methyl]-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-5,8,11,14,17-pentaene-4-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-N-[(C-hydroxycarbonimidoyl)methyl]hexanimidic acid > 0.89 > 2.27501405 > -4.15 > 1 > 4 > 2 > 3.284474022243784 > 2.8638192994836857 > 452.9500000000002 > 303.23409999999984 > 19 > 0 > 7.56e-02 g/l > antidiuretic hormone > 0 > BMDB0001980 > Vasopressin > 3-(Phenylalanine)-8-lysine oxytocin; 8-L-Lysine vasopressin; ADH; Antidiuretic hormone; Diapid; Pitressin; Pitressin Tannate; Pressyn $$$$