5357354 -OEChem-06201305112D 79 84 0 1 0 0 0 0 0999 V2000 8.1005 -4.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4256 -3.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 -1.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1449 -0.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1022 -2.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 -0.0868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 -1.4362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6795 1.2628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2309 -0.0868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7067 -0.5470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7067 0.4395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7846 -0.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4894 -1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5052 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 -2.6116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5028 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2058 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 -3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4258 -0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4563 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9222 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0319 -2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6304 -3.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2243 -1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1727 2.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 -1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8892 1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1862 2.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 0.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7482 3.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 -1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5934 3.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4185 -3.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 -2.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 4.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2616 -0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5894 1.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0517 -1.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8428 -1.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3668 -2.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8780 0.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9958 1.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1270 1.5385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8794 -0.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0883 -0.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8928 2.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.4255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 -4.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 -4.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5324 -2.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6811 0.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -0.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2553 3.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1050 4.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2412 4.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -0.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 -1.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 3.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6400 -1.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3449 -4.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0341 -3.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4921 -3.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0007 1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4337 -2.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1271 -2.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 -2.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6108 4.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 5.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 26 1 0 0 0 0 2 42 1 0 0 0 0 3 26 2 0 0 0 0 4 29 1 0 0 0 0 4 70 1 0 0 0 0 5 29 2 0 0 0 0 6 43 2 0 0 0 0 7 13 1 0 0 0 0 7 16 2 0 0 0 0 8 18 2 0 0 0 0 8 25 1 0 0 0 0 9 27 1 0 0 0 0 9 32 1 0 0 0 0 9 61 1 0 0 0 0 10 33 1 0 0 0 0 10 36 1 0 0 0 0 10 63 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 6 0 0 0 11 46 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 1 0 0 0 12 47 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 22 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 23 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 1 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 22 29 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 27 2 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 31 2 0 0 0 0 27 30 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 30 34 2 0 0 0 0 30 39 1 0 0 0 0 31 33 1 0 0 0 0 31 60 1 0 0 0 0 32 34 1 0 0 0 0 32 37 2 0 0 0 0 33 35 2 0 0 0 0 34 41 1 0 0 0 0 35 38 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 37 62 1 0 0 0 0 38 43 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 40 44 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 45 2 0 0 0 0 41 69 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 43 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 M END > 5357354 > 1 > 1180 > 8 > 3 > 8 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAeLFixAAAAAAAAAAAAAB/gAAHgAQCAAADQyhngIyyLLJlgCoA6zyzACCgCAlAiAImSEwZNgIIH7I1dGEZYhk8AHIyUe82fOegAAAAAAAAAAAAAAAAAAAASAACQAAAA== > InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36-37H,1,8-10H2,2-6H3,(H,41,42)/t16-,20-,31+/m0/s1 > AQJZOYUAIGQOPF-UFPZPJHESA-N > 4.3 > 606.247835 > C35H34N4O6 > 606.66766 > CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C=O)N2)N6)C=C)C)C)CCC(=O)O)C4=N3)C(=O)OC)C > CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C=O)N2)N6)C=C)C)C)CCC(=O)O)C4=N3)C(=O)OC)C > 155 > 606.247835 > 0 > 45 > 3 > 0 > 0 > 0 > 0 > 1 > 1001 > 1 5 255 > 10 33 8 10 36 8 11 15 6 12 19 5 13 14 8 14 18 8 16 23 8 17 26 5 23 27 8 25 31 8 27 30 8 30 34 8 31 33 8 32 34 8 32 37 8 33 35 8 35 38 8 36 37 8 36 38 8 7 13 8 7 16 8 8 18 8 8 25 8 9 27 8 9 32 8 $$$$