71197461 -OEChem-05112408392D 89 92 0 1 0 0 0 0 0999 V2000 13.9528 1.3728 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5320 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 -0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8201 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1233 -2.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4180 2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8631 4.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 1.2147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5069 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 0.3486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4346 -2.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7294 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5320 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5069 1.4721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2887 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1399 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3903 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7294 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1827 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1827 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6850 2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9964 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2189 4.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1745 4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3736 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0856 4.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2057 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2057 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6807 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6807 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5155 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2057 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2236 -2.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1098 -1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 2.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5882 -3.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7656 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1075 -3.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8845 -3.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6618 -1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8866 -2.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2963 -3.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1755 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1755 2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6245 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4039 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6374 -4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7157 -2.5027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7644 4.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3124 5.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5564 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9661 2.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1909 2.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6901 4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2236 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4811 5.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 14 1 0 0 0 0 2 62 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 20 2 0 0 0 0 5 26 2 0 0 0 0 6 30 1 0 0 0 0 6 77 1 0 0 0 0 7 31 1 0 0 0 0 7 78 1 0 0 0 0 8 33 1 0 0 0 0 8 44 1 0 0 0 0 9 33 2 0 0 0 0 10 39 1 0 0 0 0 10 45 1 0 0 0 0 11 41 1 0 0 0 0 11 46 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 21 33 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 23 22 1 1 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 26 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 24 32 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 27 29 1 0 0 0 0 27 34 1 0 0 0 0 27 65 1 1 0 0 0 28 29 2 0 0 0 0 28 35 1 0 0 0 0 29 36 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 34 39 2 0 0 0 0 34 40 1 0 0 0 0 35 37 2 0 0 0 0 35 73 1 0 0 0 0 36 38 2 0 0 0 0 36 74 1 0 0 0 0 37 38 1 0 0 0 0 37 75 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 40 76 1 0 0 0 0 41 43 2 0 0 0 0 42 43 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 M END > 71197461 > 1 > 1040 > 10 > 3 > 13 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADl7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPNzbFs5+HcCpn5hHa6Aff2PMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > methyl 3-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxy-4-piperidyl]propanoate > 3-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-4-hydroxy-4-piperidinyl]propanoic acid methyl ester > methyl 3-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxypiperidin-4-yl]propanoate > methyl 3-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxypiperidin-4-yl]propanoate > methyl 3-[1-[2-[(3R,5S)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl]-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]-4-oxidanyl-piperidin-4-yl]propanoate > 3-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2-methyl-2-methylol-propyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxy-4-piperidyl]propionic acid methyl ester > InChI=1S/C33H43ClN2O10/c1-32(19-37,20-38)18-36-24-9-8-21(34)16-23(24)29(22-6-5-7-25(43-2)30(22)45-4)46-26(31(36)41)17-27(39)35-14-12-33(42,13-15-35)11-10-28(40)44-3/h5-9,16,26,29,37-38,42H,10-15,17-20H2,1-4H3/t26-,29-/m1/s1 > WJPWCRIGDQKDDQ-GGXMVOPNSA-N > 1.6 > 662.2606233 > C33H43ClN2O10 > 663.2 > CC(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)(CCC(=O)OC)O)C4=C(C(=CC=C4)OC)OC)(CO)CO > CC(CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)(CCC(=O)OC)O)C4=C(C(=CC=C4)OC)OC)(CO)CO > 155 > 662.2606233 > 0 > 46 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 22 5 27 65 5 28 29 8 28 35 8 29 36 8 34 39 8 34 40 8 35 37 8 36 38 8 37 38 8 39 41 8 40 42 8 41 43 8 42 43 8 $$$$