16759782 -OEChem-05032423262D 75 80 0 1 0 0 0 0 0999 V2000 2.9197 -1.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5997 -2.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3837 0.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -3.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3494 1.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8036 -2.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 -0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5432 -4.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3963 1.4925 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3656 -1.9105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -1.5149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8963 -0.0464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7053 0.5414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9075 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9892 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0873 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 -1.4818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3963 1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6633 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 2.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7802 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7196 -1.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7113 2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -2.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4655 0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 1.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5773 3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6953 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 -3.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1651 4.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5828 3.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 -4.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2339 -2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 -3.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 4.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 4.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1858 0.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8688 -5.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 5.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7188 -2.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9471 -3.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3326 1.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 -0.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5991 -2.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4148 1.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4981 2.6482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -0.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9097 2.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2777 2.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7817 3.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2184 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3093 -2.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 -1.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -1.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 -2.2370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1228 5.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 4.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5560 0.4332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6832 1.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8156 1.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4152 -4.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4461 -5.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3224 -5.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 5.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4688 -3.2705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2861 -2.9531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9687 -2.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0656 -3.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5556 -3.2161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8286 -2.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 36 1 0 0 0 0 2 23 2 0 0 0 0 3 26 1 0 0 0 0 3 40 1 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 30 1 0 0 0 0 6 43 1 0 0 0 0 7 30 2 0 0 0 0 8 34 1 0 0 0 0 8 37 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 6 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 45 1 6 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 6 0 0 0 17 48 1 0 0 0 0 18 24 2 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 29 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 30 1 0 0 0 0 22 27 1 0 0 0 0 22 51 1 0 0 0 0 24 28 1 0 0 0 0 24 52 1 0 0 0 0 25 31 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 38 1 0 0 0 0 32 55 1 0 0 0 0 33 39 2 0 0 0 0 33 56 1 0 0 0 0 34 41 1 0 0 0 0 35 37 2 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 44 1 0 0 0 0 38 42 2 0 0 0 0 38 61 1 0 0 0 0 39 42 1 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 44 73 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 M END > 16759782 > 1 > 1260 > 10 > 0 > 9 > AAADceB/PAAAAAAAAAAAAAAAAAAAAWLEgAAwYIAAAAAAAFgB0AAAHgAAAAAADizBmAYzzIMABECoAqfyfACCCAElIgAJiAGubMgOJj7M/buHOWjm5hHY6ce/2fOfgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > trimethyl (1S,9R,15S)-8-benzyl-14-(2,5-dimethylfuran-3-carbonyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2,4,6,10,12-pentaene-10,11,15-tricarboxylate > (1S,9R,15S)-14-[(2,5-dimethyl-3-furanyl)-oxomethyl]-8-(phenylmethyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2,4,6,10,12-pentaene-10,11,15-tricarboxylic acid trimethyl ester > trimethyl (1S,9R,15S)-8-benzyl-14-(2,5-dimethylfuran-3-carbonyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2,4,6,10,12-pentaene-10,11,15-tricarboxylate > trimethyl (1S,9R,15S)-8-benzyl-14-(2,5-dimethylfuran-3-carbonyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2,4,6,10,12-pentaene-10,11,15-tricarboxylate > trimethyl (1S,9R,15S)-14-(2,5-dimethylfuran-3-yl)carbonyl-8-(phenylmethyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2,4,6,10,12-pentaene-10,11,15-tricarboxylate > (1S,9R,15S)-8-benzyl-14-(2,5-dimethyl-3-furoyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2,4,6,10,12-pentaene-10,11,15-tricarboxylic acid trimethyl ester > InChI=1S/C33H31N3O8/c1-18-15-21(19(2)44-18)28(37)36-24(29(38)41-3)16-33-22-13-9-10-14-23(22)35(17-20-11-7-6-8-12-20)27(33)25(30(39)42-4)26(31(40)43-5)34-32(33)36/h6-15,24,27H,16-17H2,1-5H3/t24-,27-,33-/m0/s1 > WUXCGMAWAJNNPZ-MPZZDHCUSA-N > 3.7 > 597.21111496 > C33H31N3O8 > 597.6 > CC1=CC(=C(O1)C)C(=O)N2C(CC34C2=NC(=C(C3N(C5=CC=CC=C45)CC6=CC=CC=C6)C(=O)OC)C(=O)OC)C(=O)OC > CC1=CC(=C(O1)C)C(=O)N2[C@@H](C[C@@]34C2=NC(=C([C@@H]3N(C5=CC=CC=C45)CC6=CC=CC=C6)C(=O)OC)C(=O)OC)C(=O)OC > 128 > 597.21111496 > 0 > 44 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 6 13 45 6 16 18 8 16 22 8 17 23 6 18 24 8 22 27 8 24 28 8 27 28 8 29 32 8 29 33 8 31 34 8 31 35 8 32 38 8 33 39 8 35 37 8 38 42 8 39 42 8 8 34 8 8 37 8 $$$$