70238758 -OEChem-05082406572D 74 79 0 1 0 0 0 0 0999 V2000 8.4378 -5.1322 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -5.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 -1.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -1.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 0.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6521 -0.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2212 0.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2238 4.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 3.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -3.2040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 1.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -3.7774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9980 -3.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 -3.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -1.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6431 -2.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 -4.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 -2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -2.2291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8604 -4.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 2.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -3.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 -5.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 -4.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 3.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -2.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3068 0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -4.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -4.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -5.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -3.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -3.9430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -4.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -5.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -4.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -2.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -2.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -2.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 -0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4436 3.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 1.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 2.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 1.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 0.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6884 3.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 2.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 1.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -3.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -5.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 -3.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9418 -2.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 -1.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6085 1.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7999 0.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9548 5.2687 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 28 1 0 0 0 0 25 29 1 0 0 0 0 25 36 1 0 0 0 0 25 58 1 0 0 0 0 26 28 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 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 > 70238758 > 1 > 1010 > 8 > 1 > 5 > AAADcfB7PAAEAAAAAAAAAAAAAAAAASAAAAA8eIEABYAAAEixQAAAHgIACAAADz7hmCcyzoMABgCIAiXSWAKCCAAhJQAIiAFPzogfJzbFs5+neCrn5hHe6Af10PMPAABBIQAKUAAAAIJCABSgAAAAAAAAAA== > 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-4-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]-4-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-4-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-4-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-4-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]isonipecotic acid > InChI=1S/C30H33ClN2O8/c1-30(2,3)23-14-38-21-12-17(31)11-19-25(21)33(23)28(35)22(13-24(34)32-9-7-16(8-10-32)29(36)37)41-26(19)18-5-4-6-20-27(18)40-15-39-20/h4-6,11-12,16,22-23,26H,7-10,13-15H2,1-3H3,(H,36,37)/t22-,23+,26-/m1/s1 > ODFQGAMZPNUSQQ-MVERNJQCSA-N > 3.9 > 584.1925437 > C30H33ClN2O8 > 585.0 > CC(C)(C)C1COC2=CC(=CC3=C2N1C(=O)C(OC3C4=C5C(=CC=C4)OCO5)CC(=O)N6CCC(CC6)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)N6CCC(CC6)C(=O)O)Cl > 115 > 584.1925437 > 0 > 41 > 3 > 0 > 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 31 34 8 32 35 8 32 37 8 33 34 8 35 38 8 37 39 8 38 40 8 39 40 8 $$$$