70236890 -OEChem-05042417092D 62 66 0 1 0 0 0 0 0999 V2000 8.4378 -3.1115 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 0.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 0.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4396 1.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4570 2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 3.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 2.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -1.7567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9980 -1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -2.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 -1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -3.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8604 -2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 -0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6431 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -0.2084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2665 0.5735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7178 -3.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 2.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7389 2.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7544 2.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -2.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -2.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -3.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -3.7523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -3.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -1.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -1.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -2.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -2.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -3.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -2.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -0.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -0.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -0.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 0.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 1.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -3.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -1.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 1.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 1.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 -1.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9418 -0.9509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7064 3.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 2.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2769 3.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 3.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 3.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 19 2 0 0 0 0 4 27 1 0 0 0 0 4 33 1 0 0 0 0 5 30 1 0 0 0 0 5 34 1 0 0 0 0 6 29 1 0 0 0 0 6 62 1 0 0 0 0 7 29 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 6 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 22 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 20 49 1 1 0 0 0 21 25 1 1 0 0 0 21 50 1 0 0 0 0 22 26 2 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M END > 70236890 > 1 > 786 > 6 > 1 > 4 > AAADceB6OAAEAAAAAAAAAAAAAAAAAAAAAAA8aIEABYAAAACxQAAAHgIACAAADj7hmCYyzoMABgCIAiXSWAKCCAAhJQAIiAFOzogPJzbFs5+HeCrn5hHa6Af30PMPAABDIAAKQAAAAIZAABSAAAAAAAAAAA== > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloranyl-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-13-oxidanylidene-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]ethanoic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dihydro-1,4-benzodioxin-5-yl)-13-keto-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > InChI=1S/C26H28ClNO6/c1-26(2,3)20-8-7-14-11-15(27)12-17-22(14)28(20)25(31)19(13-21(29)30)34-23(17)16-5-4-6-18-24(16)33-10-9-32-18/h4-6,11-12,19-20,23H,7-10,13H2,1-3H3,(H,29,30)/t19-,20+,23-/m1/s1 > CIYLFSCEKOMZSM-ZRCGQRJVSA-N > 4.5 > 485.1605153 > C26H28ClNO6 > 486.0 > CC(C)(C)C1CCC2=C3N1C(=O)C(OC(C3=CC(=C2)Cl)C4=C5C(=CC=C4)OCCO5)CC(=O)O > CC(C)(C)[C@@H]1CCC2=C3N1C(=O)[C@H](O[C@@H](C3=CC(=C2)Cl)C4=C5C(=CC=C4)OCCO5)CC(=O)O > 85.3 > 485.1605153 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 18 8 14 22 8 18 23 8 20 49 5 21 25 5 22 26 8 23 26 8 24 27 8 24 28 8 27 30 8 28 31 8 30 32 8 31 32 8 9 35 6 $$$$