26116 -OEChem-05062403562D 116120 0 1 0 0 0 0 0999 V2000 9.4651 -0.6345 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1691 -6.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8930 2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8818 -1.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8796 3.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0432 4.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0103 6.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.1345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2022 1.0326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8699 -1.9084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5015 3.8424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.6345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6749 5.2419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3375 1.7367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.6345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2640 -4.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6691 -5.2094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6579 -5.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.6345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -4.1345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.1345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8655 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.1345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7970 1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6897 5.2436 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0351 4.4877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1876 2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6516 4.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3624 6.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2335 2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1869 -1.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9758 3.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6717 5.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0587 0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1262 5.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6022 3.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 3.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0170 6.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4343 -3.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 -3.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7275 -4.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -5.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 -5.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2743 -5.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -4.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 -6.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -5.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -5.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 0.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3305 1.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -2.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -2.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5348 -2.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -0.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8088 0.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0844 -2.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0956 5.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9269 5.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9987 4.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5717 2.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -6.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6899 5.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9656 4.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 6.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8207 5.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8509 2.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8574 5.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5545 4.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2805 4.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7889 5.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4039 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4847 0.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2363 4.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9572 1.7536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4857 6.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4229 7.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5484 7.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6601 4.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 1 46 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 33 1 0 0 0 0 5 89 1 0 0 0 0 6 34 2 0 0 0 0 7 40 2 0 0 0 0 8 43 2 0 0 0 0 9 44 2 0 0 0 0 10 55 2 0 0 0 0 11 56 2 0 0 0 0 12 61 1 0 0 0 0 12116 1 0 0 0 0 13 59 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 32 1 0 0 0 0 16 40 1 0 0 0 0 16 80 1 0 0 0 0 17 34 1 0 0 0 0 17 37 1 0 0 0 0 17 82 1 0 0 0 0 18 46 1 0 0 0 0 18 48 1 0 0 0 0 18 92 1 0 0 0 0 19 41 1 0 0 0 0 19 55 1 0 0 0 0 19 93 1 0 0 0 0 20 44 1 0 0 0 0 20 52 1 0 0 0 0 20 96 1 0 0 0 0 21 43 1 0 0 0 0 21 98 1 0 0 0 0 21 99 1 0 0 0 0 22 50 1 0 0 0 0 22 59 1 0 0 0 0 22105 1 0 0 0 0 23 56 1 0 0 0 0 23 58 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 32 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 30 69 1 0 0 0 0 31 33 1 0 0 0 0 31 36 1 0 0 0 0 31 70 1 0 0 0 0 32 35 1 0 0 0 0 32 72 1 0 0 0 0 33 38 1 0 0 0 0 33 74 1 0 0 0 0 35 43 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 39 1 0 0 0 0 37 44 1 0 0 0 0 37 81 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 42 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 41 1 0 0 0 0 41 45 1 0 0 0 0 41 88 1 0 0 0 0 42 46 2 0 0 0 0 42 47 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 47 48 2 0 0 0 0 47 51 1 0 0 0 0 48 54 1 0 0 0 0 49 50 1 0 0 0 0 49 53 1 0 0 0 0 49 57 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 60 2 0 0 0 0 51 97 1 0 0 0 0 52 59 1 0 0 0 0 52100 1 0 0 0 0 52101 1 0 0 0 0 53 62 1 0 0 0 0 53102 1 0 0 0 0 53103 1 0 0 0 0 54 61 2 0 0 0 0 54104 1 0 0 0 0 55 58 1 0 0 0 0 57106 1 0 0 0 0 57107 1 0 0 0 0 57108 1 0 0 0 0 58109 1 0 0 0 0 58110 1 0 0 0 0 60 61 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 > 26116 > 1 > 1740 > 13 > 12 > 6 > AAADcfB//ABAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgB8AAAHgQQCAAADTzl3gayx/PJkgioAyVyVACC0iBhKjAImbG+bJgKdvri0bOUcAhm1hn42Ae/2fOOoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 2-[8,22-dihydroxy-13-(2-hydroxy-1-methyl-propyl)-2,5,11,14,30,33,36,39-octaoxo-34-sec-butyl-27-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-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,30,33,36,39-octaoxo-27-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-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,30,33,36,39-octaoxo-27-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-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,30,33,36,39-octaoxo-27-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-[34-butan-2-yl-8,22-bis(oxidanyl)-13-(3-oxidanylbutan-2-yl)-2,5,11,14,30,33,36,39-octakis(oxidanylidene)-27-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-13-(2-hydroxy-1-methyl-propyl)-2,5,11,14,30,33,36,39-octaketo-34-sec-butyl-27-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/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-62-38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58) > JPQAXLYDHQQGBO-UHFFFAOYSA-N > -1.9 > 886.36433837 > C39H54N10O12S > 887.0 > CCC(C)C1C(=O)NCC(=O)NC2CSC3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O > CCC(C)C1C(=O)NCC(=O)NC2CSC3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O > 369 > 886.36433837 > 0 > 62 > 0 > 10 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 46 8 18 48 8 26 2 3 24 25 3 30 34 3 31 36 3 32 35 3 37 39 3 41 45 3 42 46 8 42 47 8 47 48 8 47 51 8 48 54 8 49 57 3 33 5 3 50 56 3 51 60 8 54 61 8 60 61 8 $$$$