70237468 -OEChem-05062419572D 81 85 0 1 0 0 0 0 0999 V2000 8.4378 -5.1322 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 -1.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -1.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 0.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2504 -3.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2238 4.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 3.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2002 -3.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -3.2040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 1.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -3.7774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9980 -3.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 -3.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -5.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8604 -4.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6431 -2.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 -4.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 -2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -1.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8900 -2.2291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8327 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 -5.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -3.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 -4.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 2.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -2.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 3.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 -4.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 -3.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -4.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -4.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -5.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -5.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -5.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -3.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -3.9430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -4.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -5.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -4.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -2.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -2.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -2.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 -0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -5.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -3.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4436 3.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 1.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 2.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 1.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 0.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6884 3.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 2.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 1.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7380 -0.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -0.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 -1.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9548 5.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4761 -4.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3523 -4.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 -4.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3131 -3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7796 -2.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0372 -2.4232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 17 2 0 0 0 0 4 29 2 0 0 0 0 5 35 1 0 0 0 0 5 41 1 0 0 0 0 6 37 1 0 0 0 0 6 75 1 0 0 0 0 7 37 2 0 0 0 0 8 38 1 0 0 0 0 8 42 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 29 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 6 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 25 1 0 0 0 0 17 22 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 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 26 2 0 0 0 0 22 24 1 1 0 0 0 22 57 1 0 0 0 0 23 28 1 0 0 0 0 23 58 1 1 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 27 2 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 28 35 2 0 0 0 0 28 36 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 30 37 1 0 0 0 0 30 63 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 36 72 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 M END > 70237468 > 1 > 996 > 7 > 1 > 7 > AAADcfB/OAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEABYAAAACxQAAAHgIACAAADz7hmCYyzoMABgCIAiXSWAKCCAAhJQAIiAFOzogPJzbFs5+HcCpn5hHa6Af10PMPAABDIAAKQAAAAIZAABSAAAAAAAAAAA== > 1-[2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-4-carboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]-1-oxoethyl]-4-piperidinecarboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-4-carboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-4-carboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-7-chloranyl-10-(2,3-dimethoxyphenyl)-13-oxidanylidene-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]ethanoyl]piperidine-4-carboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-keto-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]isonipecotic acid > InChI=1S/C32H39ClN2O7/c1-32(2,3)25-10-9-19-15-20(33)16-22-27(19)35(25)30(37)24(17-26(36)34-13-11-18(12-14-34)31(38)39)42-28(22)21-7-6-8-23(40-4)29(21)41-5/h6-8,15-16,18,24-25,28H,9-14,17H2,1-5H3,(H,38,39)/t24-,25+,28-/m1/s1 > HHJXDWFERHPNNS-CERRFVOPSA-N > 4.7 > 598.2445793 > C32H39ClN2O7 > 599.1 > CC(C)(C)C1CCC2=C3N1C(=O)C(OC(C3=CC(=C2)Cl)C4=C(C(=CC=C4)OC)OC)CC(=O)N5CCC(CC5)C(=O)O > CC(C)(C)[C@@H]1CCC2=C3N1C(=O)[C@H](O[C@@H](C3=CC(=C2)Cl)C4=C(C(=CC=C4)OC)OC)CC(=O)N5CCC(CC5)C(=O)O > 106 > 598.2445793 > 0 > 42 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 43 6 14 16 8 14 21 8 16 25 8 21 26 8 22 24 5 23 58 5 25 27 8 26 27 8 28 35 8 28 36 8 35 38 8 36 39 8 38 40 8 39 40 8 $$$$