70035895 -OEChem-05132409242D 79 81 0 1 0 0 0 0 0999 V2000 13.4747 1.9209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0539 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 -3.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1230 -0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9400 2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3850 4.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0723 -5.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 -0.2268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.7628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9566 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2513 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6618 -3.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8106 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 0.8967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0288 2.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9122 -2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0539 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8106 1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2513 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6107 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6107 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2069 3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5183 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4294 4.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0473 -4.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7408 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6964 4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7275 -5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8955 2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6075 5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7456 -1.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6318 -1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1101 -2.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2901 1.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4278 2.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 -3.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5047 -2.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 -1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4086 -1.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8183 -2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 -0.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 2.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1464 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9258 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 1.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2863 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8343 5.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 3.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 2.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 2.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2730 -5.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1492 -5.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1819 -5.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 3.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 4.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0783 2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4880 3.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7128 3.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 5.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7455 6.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 5.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 33 1 0 0 0 0 4 21 2 0 0 0 0 5 30 1 0 0 0 0 5 40 1 0 0 0 0 6 29 2 0 0 0 0 7 32 1 0 0 0 0 7 41 1 0 0 0 0 8 33 2 0 0 0 0 9 42 1 0 0 0 0 9 79 1 0 0 0 0 10 42 2 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 29 1 0 0 0 0 12 36 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 43 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 22 2 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 1 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 18 48 1 1 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 22 26 1 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 30 2 0 0 0 0 24 31 1 0 0 0 0 25 27 2 0 0 0 0 25 57 1 0 0 0 0 26 28 2 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 30 32 1 0 0 0 0 31 34 2 0 0 0 0 31 60 1 0 0 0 0 32 35 2 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 39 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 39 42 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 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 M END > 70035895 > 1 > 948 > 9 > 2 > 14 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgIQCAAADh7hmCYyzoPABgCIAiXSWAKCCAAhJwAIiIFO7ogPJzbFs5+HcCpn9hHa6Af10PMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 4-[[2-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]butanoic acid > 4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]butanoic acid > 4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]butanoic acid > 4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]butanoic acid > 4-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]butanoic acid > 4-[[2-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]amino]butyric acid > InChI=1S/C30H37ClN2O9/c1-18(34)41-17-30(2,3)16-33-22-12-11-19(31)14-21(22)27(20-8-6-9-23(39-4)28(20)40-5)42-24(29(33)38)15-25(35)32-13-7-10-26(36)37/h6,8-9,11-12,14,24,27H,7,10,13,15-17H2,1-5H3,(H,32,35)(H,36,37)/t24-,27-/m1/s1 > GRHNGOYKBQNWNP-SHQCIBLASA-N > 3.2 > 604.2187585 > C30H37ClN2O9 > 605.1 > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCCCC(=O)O)C3=C(C(=CC=C3)OC)OC > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)NCCCC(=O)O)C3=C(C(=CC=C3)OC)OC > 141 > 604.2187585 > 0 > 42 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 22 8 16 25 8 17 23 5 18 48 5 22 26 8 24 30 8 24 31 8 25 27 8 26 28 8 27 28 8 30 32 8 31 34 8 32 35 8 34 35 8 $$$$