Marvin 07091015002D 81 80 0 0 1 0 999 V2000 4.3020 -8.7636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 -8.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6952 -8.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4143 -8.3592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -8.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 -8.3592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5714 -8.7636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2456 -8.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9647 -8.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 -7.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -9.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 -7.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -7.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -6.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4143 -5.9323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2456 -7.5502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6164 -7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9197 -7.0558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8411 -6.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -6.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 -7.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3578 -7.0558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0769 -7.4603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7510 -7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4701 -7.4603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1892 -7.0558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 -8.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3578 -6.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 -5.8424 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 -5.0335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7510 -6.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4701 -8.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1892 -8.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1892 -9.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9082 -8.3142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1892 -6.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9082 -5.8424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4701 -5.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6272 -6.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3463 -5.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0653 -6.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7844 -5.8424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0653 -7.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9082 -5.0335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6272 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6272 -4.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9082 -3.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1892 -3.7751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1892 -4.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0653 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0653 -4.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3463 -3.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3463 -5.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3578 -3.7751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 -3.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9197 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9197 -4.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7510 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7510 -4.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0769 -3.3707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4701 -3.3707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4701 -5.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0769 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4701 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7510 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1892 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1892 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7510 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4701 -0.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 -2.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9082 -0.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6952 -6.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6952 -7.1457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 -5.9323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8844 -3.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6001 -3.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3121 -3.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 -2.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8803 -10.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5005 -10.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9616 -10.8941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 10 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 11 5 2 0 0 0 0 7 6 1 0 0 0 0 6 12 1 1 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 16 8 1 6 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 72 15 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 20 19 1 0 0 0 0 22 21 1 6 0 0 0 27 21 2 0 0 0 0 23 22 1 0 0 0 0 28 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 31 24 2 0 0 0 0 26 25 1 0 0 0 0 25 32 1 1 0 0 0 36 26 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 57 30 1 0 0 0 0 33 32 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 37 36 1 0 0 0 0 38 36 2 0 0 0 0 37 39 1 1 0 0 0 44 37 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 41 2 0 0 0 0 49 44 1 0 0 0 0 47 45 1 0 0 0 0 52 45 1 0 0 0 0 46 45 2 0 0 0 0 53 46 1 0 0 0 0 48 47 1 1 0 0 0 61 48 1 0 0 0 0 49 48 1 0 0 0 0 62 49 2 0 0 0 0 51 50 1 0 0 0 0 52 50 2 0 0 0 0 53 51 2 0 0 0 0 55 54 1 0 0 0 0 60 54 1 0 0 0 0 56 55 1 0 0 0 0 70 55 2 0 0 0 0 57 56 1 0 0 0 0 59 58 2 0 0 0 0 60 58 1 0 0 0 0 61 58 1 0 0 0 0 60 63 1 1 0 0 0 65 63 1 0 0 0 0 66 64 2 0 0 0 0 65 64 1 0 0 0 0 68 65 2 0 0 0 0 67 66 1 0 0 0 0 69 67 2 0 0 0 0 71 67 1 0 0 0 0 69 68 1 0 0 0 0 73 72 2 0 0 0 0 74 72 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 M END > CHEBI:59728 > desmopressin acetate trihydrate > The trihydrate of the acetic acid salt of desmopressin. An antidiuretic, it increases urine concentration and decreases urine production, and is used to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function. > 3 > desmopressin acetate hydrate; desmopressin acetate; 1-desamino-8-D-arginine vasopressin acetate trihydrate; 1-deamino-8-D-arginine vasopressin acetate trihydrate; 1-(3-mercaptopropionic acid)-8-D-arginine vasopression monoacetate trihydrate; 1-(3-mercaptopropanoic acid)-8-D-arginine vasopression monoacetate trihydrate > 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide acetate--water (1/3) > C48H74N14O17S2 > 1183.31500 > 1182.47978 > 0 > O.O.O.CC(O)=O.NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O > InChI=1S/C46H64N14O12S2.C2H4O2.3H2O/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;1-2(3)4;;;/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);1H3,(H,3,4);3*1H2/t28-,29+,30+,31+,32+,33+,34+;;;;/m1..../s1 > YNKFCNRZZPFMEX-XHPDKPNGSA-N > 62357-86-2 > 62357-86-2 > DB00035 > D02235 $$$$