66 68 0 0001 0 0 0 0 0999 V2000 8.0623 -0.6576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 21.7854 -0.6576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 17.1824 -5.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.8088 -2.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 20.5846 -2.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.3209 -5.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 24.0440 -5.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.9187 -2.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 27.4461 -2.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 28.5897 -5.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 27.4461 -7.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.9238 -4.6601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 18.3260 -3.9740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 11.5217 -3.9740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 21.7854 -4.6601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.0623 -4.6601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 17.6684 -0.7147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 25.1875 -3.9740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 19.3267 -2.0013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.8037 -5.9753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 28.5897 -4.6601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 16.0674 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6652 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.1824 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.8088 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.4696 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.5846 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.0674 -2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3209 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.1824 -2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6652 -5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.2059 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 22.9290 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.8088 -6.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 24.0440 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.4696 -5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9187 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.2688 -2.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8037 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.2059 -2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.3311 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 22.9290 -2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.5846 -6.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9238 -5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.8088 -7.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.9264 -0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6601 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5451 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 27.4461 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.3311 -5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.1246 -6.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9810 -8.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0623 -2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.7854 -2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.1246 -7.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5451 -5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3444 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 27.4461 -6.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.7854 -5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.5846 -7.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2008 -5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3444 -6.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2008 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9187 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.5846 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 54 1 0 1 65 1 0 2 55 1 0 2 66 1 0 3 25 2 0 4 26 2 0 5 28 2 0 6 30 2 0 7 36 2 0 8 38 2 0 9 50 2 0 10 59 2 0 11 59 1 0 12 62 1 0 13 23 1 0 13 26 1 0 14 25 1 0 27 14 1 6 15 24 1 0 15 30 1 0 16 28 1 0 34 16 1 1 17 33 1 0 17 38 1 0 18 31 1 0 18 47 1 0 19 36 1 0 19 42 1 0 20 39 1 0 20 47 2 0 40 21 1 1 22 50 1 0 23 25 1 0 23 29 1 1 24 26 1 0 24 32 1 6 27 28 1 0 27 37 1 0 29 31 1 0 30 33 1 0 31 39 2 0 32 35 1 0 33 41 1 6 34 36 1 0 34 43 1 0 35 45 2 0 35 46 1 0 37 44 1 0 38 40 1 0 40 48 1 0 41 54 1 0 42 50 1 6 42 51 1 0 43 55 1 0 44 60 1 0 44 61 1 0 45 52 1 0 46 53 2 0 48 49 1 0 49 57 2 0 49 58 1 0 51 59 1 0 52 56 2 0 53 56 1 0 57 63 1 0 58 64 2 0 62 63 2 0 62 64 1 0 M END > InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1 > BHSURCCZOBVHJJ-NWOHMYAQSA-N > 1/1/N:60,61,65,66,56,52,53,45,46,57,58,63,64,41,43,54,55,37,48,32,29,51,39,47,44,35,49,31,62,40,33,34,42,27,24,23,59,50,38,36,30,28,26,25,21,22,20,18,17,16,19,14,15,13,12,10,11,9,8,7,6,5,4,3,1,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)(56,57)/it:im/rA:66cSSOOOOOOOOOONNNNNNNNNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;;;;;;;;;;;;;;;;s13;s15;d3s14s23;d4s13s24;n14;d5s16s27;P23;d6s15;s18s29;N24;s17s30;p16;s32;d7s19s34;s27;d8s17;s20d31;p21s38;N33;s19;s34;s37;d35;s35;s18d20;s40;s48;d9s22N42;s42;s45;d46;s1s41;s2s43;d52s53;d49;s49;d10s11s51;s44;s44;s12;s57d62;d58s62;s1;s2;/rC:8.0623,-.6576,0;21.7854,-.6576,0;17.1824,-5.9753,0;13.8088,-2.6588,0;20.5846,-2.6588,0;10.3209,-5.9753,0;24.044,-5.9753,0;6.9187,-2.6588,0;27.4461,-2.6588,0;28.5897,-5.9753,0;27.4461,-7.9765,0;0,-6.6614,0;14.9238,-4.6601,0;18.326,-3.974,0;11.5217,-3.974,0;21.7854,-4.6601,0;8.0623,-4.6601,0;17.6684,-.7147,0;25.1875,-3.974,0;19.3267,-2.0013,0;5.8037,-5.9753,0;28.5897,-4.6601,0;16.0674,-3.974,0;12.6652,-4.6601,0;17.1824,-4.6601,0;13.8088,-3.974,0;19.4696,-4.6601,0;20.5846,-3.974,0;16.0674,-2.6588,0;10.3209,-4.6601,0;17.1824,-2.0013,0;12.6652,-5.9753,0;9.2059,-3.974,0;22.929,-3.974,0;13.8088,-6.6614,0;24.044,-4.6601,0;19.4696,-5.9753,0;6.9187,-3.974,0;18.2688,-2.8018,0;5.8037,-4.6601,0;9.2059,-2.6588,0;26.3311,-4.6601,0;22.929,-2.6588,0;20.5846,-6.6614,0;14.9238,-5.9753,0;13.8088,-7.9765,0;18.9264,-.7147,0;4.6601,-3.974,0;3.5451,-4.6601,0;27.4461,-3.974,0;26.3311,-5.9753,0;16.1246,-6.6614,0;14.981,-8.7199,0;8.0623,-2.0013,0;21.7854,-2.0013,0;16.1246,-7.9765,0;3.5451,-5.9753,0;2.3444,-3.974,0;27.4461,-6.6614,0;21.7854,-5.9753,0;20.5846,-7.9765,0;1.2008,-5.9753,0;2.3444,-6.6614,0;1.2008,-4.6601,0;6.9187,0,0;20.5846,0,0; > C44 H62 N10 O10 S2 > 955.1541 > S(C)CC[C@H](C(N[C@@H](CC1C=CC=CC=1)C(N[C@@H](CC1=CN=CN1)C(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N)=O)=O)=O)=O)=O)=O)NC([C@H](CC1C=CC(=CC=1)O)N)=O > 2299380 $$$$