70236824 -OEChem-05132404282D 82 87 0 1 0 0 0 0 0999 V2000 6.2665 -1.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -1.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 0.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4396 -0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4570 0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 4.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 3.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -3.1435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 1.2415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -3.7169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9980 -3.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -4.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 -3.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8604 -4.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 -3.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6431 -2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 -4.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 -2.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -1.3867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8900 -2.1686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7178 -5.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -3.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -1.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 2.9687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9649 1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 3.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4378 -5.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7389 0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7544 0.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -4.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -4.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -5.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -5.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -5.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -3.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -3.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -4.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -4.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -5.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -4.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -2.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -2.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -2.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -0.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -1.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -5.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 -0.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 -0.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -3.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 1.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 2.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7098 2.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 1.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 0.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 3.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 3.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 2.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1396 -5.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9814 -5.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 -4.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 -3.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9418 -2.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 -1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7064 1.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2769 1.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 1.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 5.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 17 2 0 0 0 0 3 28 2 0 0 0 0 4 35 1 0 0 0 0 4 41 1 0 0 0 0 5 38 1 0 0 0 0 5 42 1 0 0 0 0 6 37 1 0 0 0 0 6 82 1 0 0 0 0 7 37 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 6 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 25 2 0 0 0 0 17 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 1 1 0 0 0 21 57 1 0 0 0 0 22 27 1 0 0 0 0 22 58 1 1 0 0 0 23 26 2 0 0 0 0 23 59 1 0 0 0 0 24 28 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 26 34 1 0 0 0 0 27 35 2 0 0 0 0 27 36 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 30 37 1 0 0 0 0 30 65 1 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 36 75 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 76 1 0 0 0 0 40 77 1 0 0 0 0 41 42 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 M END > 70236824 > 1 > 1030 > 7 > 1 > 5 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8eJECBYAAAACxQAAAHgAACAAADzzhmAYyzoMABgCIAiXSWAKCCAAhIAAIiAFOzIgPJz7EsZ+HeCrn5hHa6Afd0fMPCAADAAAKQAAQAAYAABSAAAAAAAAAAA== > 1-[2-[(2S,10S,12R)-2-tert-butyl-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-7-methyl-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-7-methyl-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]-1-oxoethyl]-3-piperidinecarboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-7-methyl-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-7-methyl-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-7-methyl-13-oxidanylidene-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]ethanoyl]piperidine-3-carboxylic acid > 1-[2-[(2S,10S,12R)-2-tert-butyl-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-13-keto-7-methyl-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetyl]nipecotic acid > InChI=1S/C33H40N2O7/c1-19-15-20-10-11-26(33(2,3)4)35-28(20)23(16-19)29(22-8-5-9-24-30(22)41-14-13-40-24)42-25(31(35)37)17-27(36)34-12-6-7-21(18-34)32(38)39/h5,8-9,15-16,21,25-26,29H,6-7,10-14,17-18H2,1-4H3,(H,38,39)/t21?,25-,26+,29-/m1/s1 > HEQKBDFWVFJFQQ-KMCQEUTMSA-N > 4.2 > 576.28355162 > C33H40N2O7 > 576.7 > CC1=CC2=C3C(=C1)C(OC(C(=O)N3C(CC2)C(C)(C)C)CC(=O)N4CCCC(C4)C(=O)O)C5=C6C(=CC=C5)OCCO6 > CC1=CC2=C3C(=C1)[C@H](O[C@@H](C(=O)N3[C@@H](CC2)C(C)(C)C)CC(=O)N4CCCC(C4)C(=O)O)C5=C6C(=CC=C5)OCCO6 > 106 > 576.28355162 > 0 > 42 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 43 6 13 15 8 13 16 8 15 23 8 16 25 8 21 24 5 22 58 5 23 26 8 25 26 8 27 35 8 27 36 8 30 37 3 35 38 8 36 39 8 38 40 8 39 40 8 $$$$