2638 Mrv0541 02231216202D 85 88 0 0 1 0 999 V2000 7.6699 -0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3844 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 -0.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 2.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3679 -2.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5265 -4.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5343 4.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2424 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9568 -3.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2409 -5.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2424 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8148 -3.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5279 3.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3858 4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5265 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4613 1.1945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2409 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 3.3605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2409 -3.3001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3298 4.3804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3844 -2.8876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5279 -3.3001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5279 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8133 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0975 -4.5376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 5.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6699 -5.7751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2424 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9568 4.1251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3858 5.7751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 0.8975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1140 1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1939 0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2409 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6328 2.0015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9554 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 2.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 3.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 2.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5265 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5265 -2.8876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3736 3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5451 4.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6699 -3.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5781 3.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6699 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8133 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8133 -2.8876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0989 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2424 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7496 4.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 -4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5279 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8133 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2424 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9568 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2830 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6713 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5279 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4705 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5652 -0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5279 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3858 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6713 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9402 -0.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0349 -0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1003 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3858 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2225 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1003 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2424 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9568 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6713 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6713 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 2 54 1 0 0 0 0 3 38 2 0 0 0 0 4 39 2 0 0 0 0 5 45 2 0 0 0 0 6 46 2 0 0 0 0 7 53 2 0 0 0 0 8 56 2 0 0 0 0 9 59 2 0 0 0 0 10 61 2 0 0 0 0 11 63 2 0 0 0 0 12 65 2 0 0 0 0 13 68 2 0 0 0 0 14 70 2 0 0 0 0 15 81 1 0 0 0 0 16 82 2 0 0 0 0 17 84 2 0 0 0 0 18 34 1 0 0 0 0 18 37 1 0 0 0 0 18 39 1 0 0 0 0 19 38 1 0 0 0 0 41 19 1 6 0 0 0 20 40 1 0 0 0 0 20 46 1 0 0 0 0 21 45 1 0 0 0 0 21 52 1 0 0 0 0 22 47 1 0 0 0 0 22 53 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 59 1 0 0 0 0 25 58 1 0 0 0 0 25 65 1 0 0 0 0 26 60 1 0 0 0 0 26 63 1 0 0 0 0 57 27 1 6 0 0 0 27 70 1 0 0 0 0 28 56 1 0 0 0 0 29 61 1 0 0 0 0 30 68 1 0 0 0 0 31 73 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 85 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 40 39 1 6 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 0 0 0 0 43 44 1 0 0 0 0 44 48 1 0 0 0 0 46 47 1 0 0 0 0 47 49 1 1 0 0 0 48 50 1 0 0 0 0 49 56 1 0 0 0 0 51 53 1 0 0 0 0 51 55 1 1 0 0 0 52 61 1 0 0 0 0 54 57 1 0 0 0 0 55 62 1 0 0 0 0 57 63 1 0 0 0 0 58 59 1 0 0 0 0 58 64 1 6 0 0 0 60 65 1 0 0 0 0 60 66 1 1 0 0 0 62 68 1 0 0 0 0 64 67 1 0 0 0 0 66 69 1 0 0 0 0 67 71 2 0 0 0 0 67 72 1 0 0 0 0 69 74 2 0 0 0 0 69 75 1 0 0 0 0 70 73 1 0 0 0 0 71 76 1 0 0 0 0 72 77 2 0 0 0 0 74 78 1 0 0 0 0 75 79 2 0 0 0 0 76 80 2 0 0 0 0 77 80 1 0 0 0 0 78 81 2 0 0 0 0 79 81 1 0 0 0 0 82 83 1 0 0 0 0 84 85 1 0 0 0 0 M END > DB02638 > drugbank > NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)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(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O > InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 > InChIKey=BENFXAYNYRLAIU-QSVFAHTRSA-N > 17 > 123.8817855326687 > 0 > 16 > 1226.496097158 > 0 > C52H74N16O15S2 > 0 > (2S)-6-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16S,19R)-19-{2-[2-(2-aminoacetamido)acetamido]acetamido}-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-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)hexanamide > -1.62 > -10.092697149141001 > -3.87 > 1227.372 > 1 > 4 > 2 > 11.385296348271691 > 9.428936166184936 > 10.255705469539802 > 512.8499999999996 > 305.18290000000025 > 25 > 0 > 1.67e-01 g/l > terlipressin > 0 > DB02638 > approved; investigational > Terlipressin > Terlipressina; Terlipressine; Terlipressinum > Glypressin; Lucassin; Teripress $$$$