70237460 -OEChem-05142404462D 75 79 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 5.0043 -5.2081 0.0000 O 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 8.2504 -3.6346 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 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 5.2665 -1.3867 0.0000 C 0 0 1 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 6.8900 -2.1686 0.0000 C 0 0 1 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 4.8327 -0.4857 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 4.0943 3.0434 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 3.5310 2.2172 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 7.5358 -3.6068 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 7.8650 -1.9460 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 5.6549 3.7949 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 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 8.9306 -4.3677 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 5.5964 -0.8617 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 7.1708 -1.3662 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 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 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 3.3681 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 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 8.0634 -3.2811 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 7.7380 -0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9418 -2.9110 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 10.4193 -1.3630 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 8.4761 -4.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3523 -4.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 -3.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 16 2 0 0 0 0 5 29 2 0 0 0 0 6 34 1 0 0 0 0 6 72 1 0 0 0 0 7 35 1 0 0 0 0 7 40 1 0 0 0 0 8 34 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 6 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 20 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 1 0 0 0 15 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 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 30 1 0 0 0 0 21 32 1 0 0 0 0 21 54 1 1 0 0 0 22 31 2 0 0 0 0 23 29 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 30 33 2 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 31 67 1 0 0 0 0 32 35 1 0 0 0 0 32 36 2 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 36 68 1 0 0 0 0 37 39 1 0 0 0 0 37 69 1 0 0 0 0 38 39 2 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 M END > 70237460 > 1 > 957 > 7 > 1 > 6 > AAADcfB7OAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEABYAAAACxQAAAHgIACAAADz7hmCYyzoMABgCIAiXSWAKCCAAhJQAIiAFPTogOJz7Fs5+HeCjn5hHY6Afd0fMPAABBIQAKEAAAAIJCABQgAAAAAAAAAA== > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2-methoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2-methoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]-1-oxoethyl]-3-piperidinecarboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2-methoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2-methoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloranyl-10-(2-methoxyphenyl)-13-oxidanylidene-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]ethanoyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-13-keto-10-(2-methoxyphenyl)-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]nipecotic acid > InChI=1S/C30H35ClN2O7/c1-30(2,3)24-16-39-22-13-18(31)12-20-26(22)33(24)28(35)23(40-27(20)19-9-5-6-10-21(19)38-4)14-25(34)32-11-7-8-17(15-32)29(36)37/h5-6,9-10,12-13,17,23-24,27H,7-8,11,14-16H2,1-4H3,(H,36,37)/t17?,23-,24+,27-/m1/s1 > JRDIQKSUSGRHHE-IWNQAGGHSA-N > 4.1 > 570.2132792 > C30H35ClN2O7 > 571.1 > CC(C)(C)C1COC2=CC(=CC3=C2N1C(=O)C(OC3C4=CC=CC=C4OC)CC(=O)N5CCCC(C5)C(=O)O)Cl > CC(C)(C)[C@@H]1COC2=CC(=CC3=C2N1C(=O)[C@H](O[C@@H]3C4=CC=CC=C4OC)CC(=O)N5CCCC(C5)C(=O)O)Cl > 106 > 570.2132792 > 0 > 40 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 41 6 14 20 8 14 22 8 15 23 5 20 30 8 21 54 5 22 31 8 24 34 3 30 33 8 31 33 8 32 35 8 32 36 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$