70028477 -OEChem-04262410492D 75 78 0 1 0 0 0 0 0999 V2000 12.2690 0.7100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8481 0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 -0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4143 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2246 -1.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9664 3.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6136 2.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7342 1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1793 3.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9143 0.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8231 -1.4376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 1.3609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3754 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 0.0519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3265 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4143 -0.3141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7508 -3.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4143 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0456 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8481 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8231 0.8094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6049 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6049 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4561 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7065 -3.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7953 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0456 1.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4988 -1.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4988 0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4049 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0012 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4049 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2237 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5351 3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4906 3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6898 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4018 4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 1.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 1.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 0.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 -0.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 -0.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -0.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0844 0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5219 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5398 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3847 1.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8636 -4.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 -4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0485 -4.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5238 -4.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 -3.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8892 -3.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9780 -2.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 -2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -3.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -1.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9406 -1.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 3.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0806 3.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6286 4.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8725 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2822 1.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5070 2.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0062 4.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5397 4.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7973 4.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 14 1 0 0 0 0 3 62 1 0 0 0 0 4 20 2 0 0 0 0 5 21 2 0 0 0 0 6 25 1 0 0 0 0 6 67 1 0 0 0 0 7 25 2 0 0 0 0 8 33 1 0 0 0 0 8 39 1 0 0 0 0 9 36 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 6 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 33 2 0 0 0 0 29 35 1 0 0 0 0 30 32 2 0 0 0 0 30 63 1 0 0 0 0 31 34 2 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 32 65 1 0 0 0 0 33 36 1 0 0 0 0 35 37 2 0 0 0 0 35 66 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 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 > 70028477 > 1 > 928 > 8 > 2 > 8 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAABQAAAHgIACAAADj7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAHO7ogPNzbFs7+HcCpn5hHa6Aff0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > (2R)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxy-pyrrolidine-2-carboxylic acid > (2R)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid > (2R)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid > (2R)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid > (2R)-1-[2-[7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid > (2R)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxy-proline > InChI=1S/C29H35ClN2O8/c1-29(2,3)15-32-20-10-9-16(30)11-19(20)25(18-7-6-8-22(38-4)26(18)39-5)40-23(27(32)35)13-24(34)31-14-17(33)12-21(31)28(36)37/h6-11,17,21,23,25,33H,12-15H2,1-5H3,(H,36,37)/t17?,21-,23?,25?/m1/s1 > SXFMSRYPXJMRFL-WBLFXUQNSA-N > 3.3 > 574.2081938 > C29H35ClN2O8 > 575.0 > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CC(CC3C(=O)O)O)C4=C(C(=CC=C4)OC)OC > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CC(C[C@@H]3C(=O)O)O)C4=C(C(=CC=C4)OC)OC > 126 > 574.2081938 > 0 > 40 > 1 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 25 6 16 18 3 22 29 3 23 24 8 23 30 8 24 31 8 29 33 8 29 35 8 14 3 3 30 32 8 31 34 8 32 34 8 33 36 8 35 37 8 36 38 8 37 38 8 $$$$