70234981 -OEChem-05112403412D 81 85 0 1 0 0 0 0 0999 V2000 8.4378 -5.0717 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2504 -3.6346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 -1.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -1.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 0.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 4.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 3.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2002 -3.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7898 -1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -3.1435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 1.2415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -3.7169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9980 -3.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -4.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 -3.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8604 -4.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6431 -2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 -4.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 -2.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 -3.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -1.3867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8900 -2.1686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8327 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 -5.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -3.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -1.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 2.9687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5254 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 3.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 -2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0845 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -4.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -4.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -5.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -5.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -5.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -3.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -3.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -4.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -4.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -5.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -4.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -2.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -2.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -2.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -0.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 -1.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 -0.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 -0.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -5.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -3.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7098 2.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 1.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 2.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 1.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 0.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 3.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 3.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 2.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7380 -0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 5.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3131 -3.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7796 -2.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0372 -2.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6770 -0.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2673 0.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4921 -0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 36 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 18 2 0 0 0 0 5 30 2 0 0 0 0 6 38 1 0 0 0 0 6 75 1 0 0 0 0 7 38 2 0 0 0 0 8 39 1 0 0 0 0 8 42 1 0 0 0 0 9 41 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 11 30 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 6 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 26 1 0 0 0 0 18 23 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 1 0 0 0 0 22 27 2 0 0 0 0 23 25 1 6 0 0 0 23 58 1 0 0 0 0 24 29 1 6 0 0 0 24 59 1 0 0 0 0 25 30 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 28 2 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 29 36 2 0 0 0 0 29 37 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 38 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 35 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 39 1 0 0 0 0 37 40 2 0 0 0 0 37 73 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 74 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 M END > 70234981 > 1 > 1040 > 7 > 1 > 7 > AAADcfB/OAAGAAAAAAAAAAAAAAAAAAAAAAA8eIEABYAAAACxQAAAHgIACAAADz7hmCYyzoMABgCIAiXSWAKCCAAhJUAIiAFOz4gPJj/Fs5+HcCpm5hHa6Afd8f4PIABDIQADSABAAIZCAAaQAAAAAAAAAA== > 1-[2-[(2S,10S,12S)-2-tert-butyl-7-chloro-10-(2-chloro-3,4-dimethoxy-phenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2S,10S,12S)-2-tert-butyl-7-chloro-10-(2-chloro-3,4-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]-1-oxoethyl]-3-piperidinecarboxylic acid > 1-[2-[(2S,10S,12S)-2-tert-butyl-7-chloro-10-(2-chloro-3,4-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2S,10S,12S)-2-tert-butyl-7-chloro-10-(2-chloro-3,4-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2S,10S,12S)-2-tert-butyl-7-chloranyl-10-(2-chloranyl-3,4-dimethoxy-phenyl)-13-oxidanylidene-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]ethanoyl]piperidine-3-carboxylic acid > 1-[2-[(2S,10S,12S)-2-tert-butyl-7-chloro-10-(2-chloro-3,4-dimethoxy-phenyl)-13-keto-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]nipecotic acid > InChI=1S/C32H38Cl2N2O7/c1-32(2,3)24-11-8-17-13-19(33)14-21-27(17)36(24)30(38)23(15-25(37)35-12-6-7-18(16-35)31(39)40)43-28(21)20-9-10-22(41-4)29(42-5)26(20)34/h9-10,13-14,18,23-24,28H,6-8,11-12,15-16H2,1-5H3,(H,39,40)/t18?,23-,24-,28+/m0/s1 > SJDDGJGMRJGRRB-ZOOCPQDKSA-N > 5.3 > 632.2056069 > C32H38Cl2N2O7 > 633.6 > CC(C)(C)C1CCC2=C3N1C(=O)C(OC(C3=CC(=C2)Cl)C4=C(C(=C(C=C4)OC)OC)Cl)CC(=O)N5CCCC(C5)C(=O)O > CC(C)(C)[C@@H]1CCC2=C3N1C(=O)[C@@H](O[C@@H](C3=CC(=C2)Cl)C4=C(C(=C(C=C4)OC)OC)Cl)CC(=O)N5CCCC(C5)C(=O)O > 106 > 632.2056069 > 0 > 43 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 44 6 15 17 8 15 22 8 17 26 8 22 27 8 23 25 6 24 29 6 26 28 8 27 28 8 29 36 8 29 37 8 31 38 3 36 39 8 37 40 8 39 41 8 40 41 8 $$$$