25245630 -OEChem-05112414562D 74 79 0 0 0 0 0 0 0999 V2000 8.1006 -4.3310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4340 -4.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6970 -2.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1449 -0.7379 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1022 -2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 0.1453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 -1.2041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6795 1.4948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 0.1453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2058 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 -1.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4894 -1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9222 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7846 -0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 -2.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 -3.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 -1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7067 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8892 2.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 -0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7067 0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 2.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 3.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1862 3.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6304 -3.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4563 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7233 -3.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5052 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 3.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5935 3.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4258 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 4.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1183 -4.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2243 -1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5324 -1.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 0.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -1.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 -1.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 2.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6811 0.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 -4.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 -3.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8928 2.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2978 1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4289 1.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 0.7508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 0.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -0.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 -1.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8780 0.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9959 1.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1270 1.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4295 -1.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2553 3.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1051 4.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2412 4.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9773 3.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5015 0.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6108 4.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 5.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6662 -5.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5426 -5.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5704 -4.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 35 1 0 0 0 0 2 43 1 0 0 0 0 3 35 2 0 0 0 0 4 44 1 0 0 0 0 5 44 2 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 46 1 0 0 0 0 7 11 2 0 0 0 0 7 16 1 0 0 0 0 8 24 1 0 0 0 0 8 28 1 0 0 0 0 8 50 1 0 0 0 0 9 18 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 21 2 0 0 0 0 11 12 1 0 0 0 0 12 18 1 0 0 0 0 12 20 2 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 25 1 0 0 0 0 15 22 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 23 1 0 0 0 0 19 29 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 22 45 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 29 1 0 0 0 0 24 31 2 0 0 0 0 25 36 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 27 33 2 0 0 0 0 28 30 2 0 0 0 0 28 33 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 38 41 2 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 42 2 0 0 0 0 40 68 1 0 0 0 0 41 44 1 0 0 0 0 41 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 M CHG 2 1 -1 4 -1 M END > 25245630 > 1 > 1790 > 8 > 2 > 5 > AAADceB/uAAAAAAAAAAAAAAAAAAAAWIECBAAAAAAAAAAAAABgAAAHgAQAAAADAyBngICiJLJlACoAyTyTACCgCAhIiAImSEwRNgIJGbAsJGEEAhh8ADI6YcQgIAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (E)-3-(11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-16-vinyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2,4,6,8(26),9,11,13,15,17,19,21-dodecaen-22-yl)prop-2-enoate > (E)-3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2,4,6,8(26),9,11,13,15,17,19,21-dodecaen-22-yl)-2-propenoate > (E)-3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2,4,6,8(26),9,11,13,15,17,19,21-dodecaen-22-yl)prop-2-enoate > (E)-3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2,4,6,8(26),9,11,13,15,17,19,21-dodecaen-22-yl)prop-2-enoate > (E)-3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxidanidyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2,4,6,8(26),9,11,13,15,17,19,21-dodecaen-22-yl)prop-2-enoate > (E)-3-(3-carbomethoxy-11-ethyl-12,17,21,26-tetramethyl-4-oxido-16-vinyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2,4,6,8(26),9,11,13,15,17,19,21-dodecaen-22-yl)acrylate > InChI=1S/C35H32N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,10-14,36-37,42H,1,9H2,2-7H3,(H,40,41)/p-2/b11-10+,22-12?,23-13?,24-12?,25-14?,26-13?,27-14?,32-30? > UYSUNDXMKIQRCS-WHWHIXRESA-L > 4.8 > 586.22162007 > C35H30N4O5-2 > 586.6 > CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C5=C(C(=C6C5=NC(=C6C)C=C1N2)[O-])C(=O)OC)C=CC(=O)[O-])C)C)C=C)C > CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C5=C(C(=C6C5=NC(=C6C)C=C1N2)[O-])C(=O)OC)/C=C/C(=O)[O-])C)C)C=C)C > 142 > 586.22162007 > -2 > 44 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 21 8 11 12 8 12 18 8 12 20 8 14 15 8 14 17 8 15 22 8 16 22 8 17 19 8 18 23 8 19 29 8 20 21 8 23 26 8 24 29 8 24 31 8 26 27 8 27 33 8 28 30 8 28 33 8 30 31 8 6 15 8 6 19 8 7 11 8 7 16 8 8 24 8 8 28 8 9 18 8 9 27 8 $$$$