70029522 -OEChem-05102419302D 74 77 0 1 0 0 0 0 0999 V2000 10.8936 0.7100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4727 0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 -1.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 3.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 2.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3588 1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8038 3.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 0.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4476 -1.4376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.3609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3754 -3.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 -0.3141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6702 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4727 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4476 0.8094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2295 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2295 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0807 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 -3.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4198 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6702 1.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1234 -1.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1234 0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0295 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0295 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9371 2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8483 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1596 3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1152 3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3144 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0264 4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5634 1.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 1.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -0.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -0.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -0.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1644 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0506 -2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4562 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0092 1.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4882 -4.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 -4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -4.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1484 -4.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9235 -3.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5138 -3.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6026 -2.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8274 -2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2371 -3.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1163 -1.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1163 1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5652 -1.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3447 2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 3.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 3.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2532 4.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4971 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9068 1.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1316 2.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6308 4.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1643 4.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4219 4.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 27 1 0 0 0 0 5 66 1 0 0 0 0 6 27 2 0 0 0 0 7 32 1 0 0 0 0 7 38 1 0 0 0 0 8 35 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 1 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 28 32 2 0 0 0 0 28 34 1 0 0 0 0 29 31 2 0 0 0 0 29 62 1 0 0 0 0 30 33 2 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 32 35 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 M END > 70029522 > 1 > 895 > 7 > 1 > 8 > AAADcfB7OAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAABQAAAHgIACAAADj7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAHO7ogPJzbFs7+HcCpn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > (2S)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]pyrrolidine-2-carboxylic acid > (2S)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid > (2S)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]pyrrolidine-2-carboxylic acid > (2S)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]pyrrolidine-2-carboxylic acid > (2S)-1-[2-[7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]pyrrolidine-2-carboxylic acid > (2S)-1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]proline > InChI=1S/C29H35ClN2O7/c1-29(2,3)16-32-20-12-11-17(30)14-19(20)25(18-8-6-10-22(37-4)26(18)38-5)39-23(27(32)34)15-24(33)31-13-7-9-21(31)28(35)36/h6,8,10-12,14,21,23,25H,7,9,13,15-16H2,1-5H3,(H,35,36)/t21-,23?,25?/m0/s1 > QFQSTENEHOTLMM-QDBMRNDTSA-N > 4.3 > 558.2132792 > C29H35ClN2O7 > 559.0 > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCCC3C(=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)N3CCC[C@H]3C(=O)O)C4=C(C(=CC=C4)OC)OC > 106 > 558.2132792 > 0 > 39 > 1 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 27 5 16 18 3 21 28 3 22 23 8 22 29 8 23 30 8 28 32 8 28 34 8 29 31 8 30 33 8 31 33 8 32 35 8 34 36 8 35 37 8 36 37 8 $$$$