70238687 -OEChem-05042401322D 74 79 0 1 0 0 0 0 0999 V2000 8.9562 -4.0872 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 -4.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7849 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4284 -0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9115 1.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1704 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7395 1.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6183 4.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 2.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 -2.1590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4804 2.2259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5143 -2.7324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5163 -2.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5842 -3.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 -2.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 -0.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1614 -1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 -2.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5795 -3.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1859 -2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 -1.1841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3787 -3.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 3.2016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4832 2.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0438 3.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 4.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6099 3.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -2.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3833 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 -4.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0794 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6781 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 3.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0635 -1.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6530 0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0384 -1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3332 -0.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8251 1.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2758 -3.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 -3.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4147 -4.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1148 0.1227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 -2.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 -3.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9607 -3.8327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 -4.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 -3.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 -1.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -1.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6891 -0.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9072 0.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 0.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 2.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 2.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 1.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5472 3.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7657 4.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0475 4.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 4.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5482 4.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5817 -2.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2449 -4.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8807 -2.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4601 -1.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9376 -0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1269 2.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3182 1.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 22 1 0 0 0 0 4 17 2 0 0 0 0 5 30 2 0 0 0 0 6 35 1 0 0 0 0 6 41 1 0 0 0 0 7 38 1 0 0 0 0 7 41 1 0 0 0 0 8 36 1 0 0 0 0 8 74 1 0 0 0 0 9 36 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 6 0 0 0 13 18 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 21 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 1 0 0 0 16 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 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 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 55 1 1 0 0 0 23 33 2 0 0 0 0 24 30 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 36 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 27 29 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 31 34 2 0 0 0 0 31 67 1 0 0 0 0 32 35 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 35 38 1 0 0 0 0 37 39 2 0 0 0 0 37 69 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 M END > 70238687 > 1 > 1020 > 8 > 1 > 5 > AAADcfB7PAAEAAAAAAAAAAAAAAAAASAAAAA8eIEABYAAAEixQAAAHgIACAAADz7hmCcyzoMABgCIAiXSWAKCCAAhJQAIiAFPzogfJz7Fs5+neCrn5hHe6Afd0fMPAABBIQAKUAAAAIJCABSgAAAAAAAAAA== > 1-[2-[(2R,10S,12R)-10-(1,3-benzodioxol-4-yl)-2-tert-butyl-7-chloro-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-10-(1,3-benzodioxol-4-yl)-2-tert-butyl-7-chloro-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]-1-oxoethyl]-3-piperidinecarboxylic acid > 1-[2-[(2R,10S,12R)-10-(1,3-benzodioxol-4-yl)-2-tert-butyl-7-chloro-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-10-(1,3-benzodioxol-4-yl)-2-tert-butyl-7-chloro-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-10-(1,3-benzodioxol-4-yl)-2-tert-butyl-7-chloranyl-13-oxidanylidene-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]ethanoyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-10-(1,3-benzodioxol-4-yl)-2-tert-butyl-7-chloro-13-keto-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]nipecotic acid > InChI=1S/C30H33ClN2O8/c1-30(2,3)23-14-38-21-11-17(31)10-19-25(21)33(23)28(35)22(12-24(34)32-9-5-6-16(13-32)29(36)37)41-26(19)18-7-4-8-20-27(18)40-15-39-20/h4,7-8,10-11,16,22-23,26H,5-6,9,12-15H2,1-3H3,(H,36,37)/t16?,22-,23+,26-/m1/s1 > GGEWSWBHMBTYQI-HYPIXTLASA-N > 3.9 > 584.1925437 > C30H33ClN2O8 > 585.0 > CC(C)(C)C1COC2=CC(=CC3=C2N1C(=O)C(OC3C4=C5C(=CC=C4)OCO5)CC(=O)N6CCCC(C6)C(=O)O)Cl > CC(C)(C)[C@@H]1COC2=CC(=CC3=C2N1C(=O)[C@H](O[C@@H]3C4=C5C(=CC=C4)OCO5)CC(=O)N6CCCC(C6)C(=O)O)Cl > 115 > 584.1925437 > 0 > 41 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 42 6 15 21 8 15 23 8 16 24 5 21 31 8 22 55 5 23 33 8 25 36 3 31 34 8 32 35 8 32 37 8 33 34 8 35 38 8 37 39 8 38 40 8 39 40 8 $$$$