59956188 -OEChem-05072403372D 119118 0 1 0 0 0 0 0999 V2000 12.3923 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7224 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3205 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3205 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5885 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1855 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7836 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7971 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3986 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9175 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5665 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8065 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6804 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 2 43 1 0 0 0 0 3 23 2 0 0 0 0 4 26 2 0 0 0 0 5 28 2 0 0 0 0 6 29 2 0 0 0 0 7 47 2 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 8 58 1 0 0 0 0 9 19 1 0 0 0 0 9 28 1 0 0 0 0 9 65 1 0 0 0 0 10 16 1 0 0 0 0 10 37 1 0 0 0 0 10 69 1 0 0 0 0 11 26 1 0 0 0 0 11 32 1 0 0 0 0 11 80 1 0 0 0 0 12 29 1 0 0 0 0 12 34 1 0 0 0 0 12 81 1 0 0 0 0 13 21 1 0 0 0 0 13 47 1 0 0 0 0 13 88 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 50 1 0 0 0 0 15 22 1 0 0 0 0 15 27 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 24 1 0 0 0 0 17 30 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 31 1 0 0 0 0 18 54 1 0 0 0 0 19 29 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 35 1 0 0 0 0 20 56 1 0 0 0 0 21 28 1 0 0 0 0 21 57 1 0 0 0 0 22 36 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 24 38 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 39 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 40 1 0 0 0 0 32 41 1 0 0 0 0 32 76 1 0 0 0 0 33 44 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 42 1 0 0 0 0 34 43 1 0 0 0 0 34 79 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 37 45 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 38 91 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 39 96 1 0 0 0 0 40 46 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 41 99 1 0 0 0 0 41100 1 0 0 0 0 42 48 1 0 0 0 0 42101 1 0 0 0 0 42102 1 0 0 0 0 43103 1 0 0 0 0 43104 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 44107 1 0 0 0 0 45108 1 0 0 0 0 45109 1 0 0 0 0 45110 1 0 0 0 0 46111 1 0 0 0 0 46112 1 0 0 0 0 46113 1 0 0 0 0 47 49 1 0 0 0 0 48114 1 0 0 0 0 48115 1 0 0 0 0 48116 1 0 0 0 0 49117 1 0 0 0 0 49118 1 0 0 0 0 49119 1 0 0 0 0 M END > 59956188 > 1 > 1010 > 8 > 6 > 26 > AAADcfB/uABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQAAAADSjFwASCAALAAAAIAAEQEAAAAAAAAAAAAIGIAAAAQBIAgCAUAAAAFgCAAAAYAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > N-[1-[1-[[2-[[2-[(2-acetamido-3-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]butyldisulfanyl]methyl]propylcarbamoyl]-2-methyl-butyl]-2-(ethylamino)-3-methyl-pentanamide > N-[1-[1-[2-[[2-[(2-acetamido-3-methyl-1-oxopentyl)amino]-3-methyl-1-oxopentyl]amino]butyldisulfanyl]butan-2-ylamino]-3-methyl-1-oxopentan-2-yl]-2-(ethylamino)-3-methylpentanamide > N-[1-[1-[2-[[2-[(2-acetamido-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]butyldisulfanyl]butan-2-ylamino]-3-methyl-1-oxopentan-2-yl]-2-(ethylamino)-3-methylpentanamide > N-[1-[1-[2-[[2-[(2-acetamido-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]butyldisulfanyl]butan-2-ylamino]-3-methyl-1-oxopentan-2-yl]-2-(ethylamino)-3-methylpentanamide > N-[1-[1-[2-[[2-[(2-acetamido-3-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]butyldisulfanyl]butan-2-ylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]-2-(ethylamino)-3-methyl-pentanamide > N-[1-[1-[[2-[[2-[(2-acetamido-3-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]butyldisulfanyl]methyl]propylcarbamoyl]-2-methyl-butyl]-2-(ethylamino)-3-methyl-valeramide > InChI=1S/C36H70N6O5S2/c1-13-22(8)29(37-19-7)33(44)41-31(24(10)15-3)34(45)39-27(17-5)20-48-49-21-28(18-6)40-35(46)32(25(11)16-4)42-36(47)30(23(9)14-2)38-26(12)43/h22-25,27-32,37H,13-21H2,1-12H3,(H,38,43)(H,39,45)(H,40,46)(H,41,44)(H,42,47) > NSKKLTAGOWIRJZ-UHFFFAOYSA-N > 6.4 > 730.48491170 > C36H70N6O5S2 > 731.1 > CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC)CSSCC(CC)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C)NCC > CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC)CSSCC(CC)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C)NCC > 208 > 730.48491170 > 0 > 49 > 0 > 10 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 26 3 15 27 3 16 23 3 17 30 3 18 31 3 19 29 3 20 35 3 21 28 3 32 40 3 34 42 3 $$$$