70035511 -OEChem-03292406242D 66 68 0 1 0 0 0 0 0999 V2000 9.6647 1.9209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5320 -3.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 4.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 -5.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2188 -0.2268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1466 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8518 -3.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0006 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1022 -2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2188 2.0202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8100 0.8967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0006 1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8006 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8006 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 4.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 -4.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9308 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8864 4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 -5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0855 2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7975 5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 -1.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 -1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 -2.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4775 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 2.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 -3.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6947 -2.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 -1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3738 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 -1.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4801 1.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 -0.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 2.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3364 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1158 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0243 5.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 -5.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3392 -5.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3720 -5.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2683 2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6780 3.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9028 3.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4020 5.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9355 6.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1931 5.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 13 1 0 0 0 0 3 31 1 0 0 0 0 4 20 2 0 0 0 0 5 27 1 0 0 0 0 5 35 1 0 0 0 0 6 29 1 0 0 0 0 6 60 1 0 0 0 0 7 30 1 0 0 0 0 7 36 1 0 0 0 0 8 29 2 0 0 0 0 9 31 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 19 2 0 0 0 0 14 23 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 6 0 0 0 18 20 1 0 0 0 0 18 22 1 6 0 0 0 18 48 1 0 0 0 0 19 24 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 27 30 1 0 0 0 0 28 32 2 0 0 0 0 28 54 1 0 0 0 0 30 33 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 M END > 70035511 > 1 > 792 > 8 > 1 > 10 > AAADceB6PAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgIACAAADh7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPJzbFs5+HcCpn5hHa6Af30PMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 2-[(3S,5R)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid > 2-[(3S,5R)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid > 2-[(3S,5R)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid > 2-[(3S,5R)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid > 2-[(3S,5R)-1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid > 2-[(3S,5R)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetic acid > InChI=1S/C26H30ClNO8/c1-15(29)35-14-26(2,3)13-28-19-10-9-16(27)11-18(19)23(36-21(25(28)32)12-22(30)31)17-7-6-8-20(33-4)24(17)34-5/h6-11,21,23H,12-14H2,1-5H3,(H,30,31)/t21-,23-/m0/s1 > XDYXHEVDYHBTIF-GMAHTHKFSA-N > 3.6 > 519.1659946 > C26H30ClNO8 > 520.0 > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=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)O)C3=C(C(=CC=C3)OC)OC > 112 > 519.1659946 > 0 > 36 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 19 8 14 23 8 17 41 6 18 22 6 19 24 8 21 27 8 21 28 8 23 25 8 24 26 8 25 26 8 27 30 8 28 32 8 30 33 8 32 33 8 $$$$