114856 -OEChem-04262408552D 116120 0 1 0 0 0 0 0999 V2000 8.9282 -0.6345 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.6322 -6.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3448 -1.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5062 4.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3427 3.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4734 6.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6652 1.0326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3329 -1.9084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9646 3.8424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1380 5.2419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8005 1.7367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7271 -4.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1322 -5.2094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1209 -5.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -4.1345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.6345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8655 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.1345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2714 1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3341 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1528 5.2436 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4981 4.4877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6506 2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6966 2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 -1.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1147 4.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8254 6.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4388 3.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5218 0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0653 3.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0952 3.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1348 5.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5892 5.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4801 6.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8974 -3.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 -3.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -4.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -5.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -5.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7374 -5.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 -6.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -5.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -5.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 0.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7936 1.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9979 -2.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -0.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2719 0.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5475 -2.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5587 5.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3899 5.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0348 2.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4618 4.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3140 2.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -6.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 5.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4287 4.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4344 6.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2837 5.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3205 5.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8670 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9478 0.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6994 4.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0176 4.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7436 4.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2519 5.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4203 1.7536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9488 6.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8860 7.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0114 7.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1231 4.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 26 1 0 0 0 0 2 73 1 0 0 0 0 3 28 2 0 0 0 0 4 29 2 0 0 0 0 5 35 2 0 0 0 0 6 40 2 0 0 0 0 7 45 2 0 0 0 0 9 47 2 0 0 0 0 10 53 2 0 0 0 0 11 59 1 0 0 0 0 11116 1 0 0 0 0 12 56 2 0 0 0 0 13 61 2 0 0 0 0 14 24 1 0 0 0 0 14 27 1 0 0 0 0 14 29 1 0 0 0 0 15 28 1 0 0 0 0 15 30 1 0 0 0 0 15 71 1 0 0 0 0 16 31 1 0 0 0 0 16 40 1 0 0 0 0 16 78 1 0 0 0 0 17 35 1 0 0 0 0 17 37 1 0 0 0 0 17 83 1 0 0 0 0 18 44 1 0 0 0 0 18 48 1 0 0 0 0 18 92 1 0 0 0 0 19 39 1 0 0 0 0 19 53 1 0 0 0 0 19 93 1 0 0 0 0 20 47 1 0 0 0 0 20 54 1 0 0 0 0 20 97 1 0 0 0 0 21 45 1 0 0 0 0 21 99 1 0 0 0 0 21100 1 0 0 0 0 22 50 1 0 0 0 0 22 61 1 0 0 0 0 22105 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23112 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 30 69 1 0 0 0 0 31 34 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 32 72 1 0 0 0 0 33 42 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 45 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 38 1 0 0 0 0 37 47 1 0 0 0 0 37 82 1 0 0 0 0 38 41 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 40 1 0 0 0 0 39 43 1 0 0 0 0 39 86 1 0 0 0 0 41 44 2 0 0 0 0 41 46 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 46 48 2 0 0 0 0 46 51 1 0 0 0 0 48 52 1 0 0 0 0 49 50 1 0 0 0 0 49 55 1 0 0 0 0 49 60 1 0 0 0 0 49 94 1 0 0 0 0 50 56 1 0 0 0 0 50 95 1 0 0 0 0 51 58 2 0 0 0 0 51 96 1 0 0 0 0 52 59 2 0 0 0 0 52 98 1 0 0 0 0 53 57 1 0 0 0 0 54 61 1 0 0 0 0 54101 1 0 0 0 0 54102 1 0 0 0 0 55 62 1 0 0 0 0 55103 1 0 0 0 0 55104 1 0 0 0 0 57106 1 0 0 0 0 57107 1 0 0 0 0 58 59 1 0 0 0 0 58108 1 0 0 0 0 60109 1 0 0 0 0 60110 1 0 0 0 0 60111 1 0 0 0 0 62113 1 0 0 0 0 62114 1 0 0 0 0 62115 1 0 0 0 0 M END > 114856 > 1 > 1790 > 13 > 11 > 6 > AAADcfB//ABAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgB8AAAHgQQCAAADTzl3gayx/PJkgqoAyVyVEDK0iBhKjAImbG+bJgKdvri0bOUcAhm1hn42Ae/2fOOoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 2-(8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-13,34-disec-butyl-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl)acetamide > 2-[13,34-di(butan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide > 2-[13,34-di(butan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide > 2-[13,34-di(butan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide > 2-[13,34-di(butan-2-yl)-8,22-bis(oxidanyl)-2,5,11,14,27,30,33,36,39-nonakis(oxidanylidene)-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]ethanamide > 2-(8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaketo-13,34-disec-butyl-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl)acetamide > InChI=1S/C39H54N10O12S/c1-5-17(3)31-36(58)42-13-29(53)43-26-16-62(61)38-22(21-8-7-19(50)9-23(21)46-38)11-24(33(55)41-14-30(54)47-31)44-37(59)32(18(4)6-2)48-35(57)27-10-20(51)15-49(27)39(60)25(12-28(40)52)45-34(26)56/h7-9,17-18,20,24-27,31-32,46,50-51H,5-6,10-16H2,1-4H3,(H2,40,52)(H,41,55)(H,42,58)(H,43,53)(H,44,59)(H,45,56)(H,47,54)(H,48,57) > QQLVIKWYAVVKKF-UHFFFAOYSA-N > -2.2 > 886.36433837 > C39H54N10O12S > 887.0 > CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)CC)C5=C(N3)C=C(C=C5)O > CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)CC)C5=C(N3)C=C(C=C5)O > 360 > 886.36433837 > 0 > 62 > 0 > 10 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 43 3 18 44 8 18 48 8 26 2 3 24 25 3 30 35 3 31 34 3 32 36 3 37 38 3 39 43 3 41 44 8 41 46 8 46 48 8 46 51 8 48 52 8 49 60 3 50 56 3 51 58 8 52 59 8 58 59 8 $$$$