60160126 -OEChem-04252413082D 88 94 0 1 0 0 0 0 0999 V2000 5.2730 1.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8991 1.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 4.7832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3638 2.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1325 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2872 0.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 -3.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 2.5279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2049 1.4401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 0.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 3.5279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.0279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4836 -0.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 2.0279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5868 1.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 4.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 2.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3081 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 3.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 1.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 4.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7148 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 -2.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7093 -1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4782 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8501 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5338 -2.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0659 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5283 -3.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0580 2.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6592 -1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0605 -0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 -2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3149 3.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0091 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2470 -2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6483 -1.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5228 4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2170 3.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2415 -2.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3472 -4.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4739 4.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 1.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0204 1.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 2.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 4.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9973 4.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8774 0.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 -0.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4379 3.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 4.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 4.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0738 -0.8364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9364 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4698 1.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1693 -3.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7327 -2.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0426 -2.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3126 -0.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0431 -2.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 -3.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0463 -3.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7252 2.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4698 2.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9948 -3.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2649 -1.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0621 4.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8067 3.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6059 -3.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 -4.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9828 -5.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8488 -5.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6028 4.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 23 1 0 0 0 0 2 32 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 27 1 0 0 0 0 5 43 1 0 0 0 0 6 29 2 0 0 0 0 7 38 1 0 0 0 0 7 51 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 14 9 1 1 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 19 2 0 0 0 0 16 55 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 33 1 0 0 0 0 28 34 2 0 0 0 0 28 63 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 30 64 1 0 0 0 0 31 37 2 0 0 0 0 31 65 1 0 0 0 0 32 39 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 38 2 0 0 0 0 33 68 1 0 0 0 0 34 38 1 0 0 0 0 34 69 1 0 0 0 0 35 41 2 0 0 0 0 35 42 1 0 0 0 0 36 40 2 0 0 0 0 36 70 1 0 0 0 0 37 40 1 0 0 0 0 37 71 1 0 0 0 0 39 44 2 0 0 0 0 39 45 1 0 0 0 0 40 72 1 0 0 0 0 41 46 1 0 0 0 0 41 73 1 0 0 0 0 42 47 2 0 0 0 0 42 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 44 48 1 0 0 0 0 44 78 1 0 0 0 0 45 49 2 0 0 0 0 45 79 1 0 0 0 0 46 50 2 0 0 0 0 46 80 1 0 0 0 0 47 50 1 0 0 0 0 47 81 1 0 0 0 0 48 52 2 0 0 0 0 48 82 1 0 0 0 0 49 52 1 0 0 0 0 49 83 1 0 0 0 0 50 84 1 0 0 0 0 51 85 1 0 0 0 0 51 86 1 0 0 0 0 51 87 1 0 0 0 0 52 88 1 0 0 0 0 M END > 60160126 > 1 > 1400 > 7 > 0 > 9 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWLAAAAwYMGCAAAAAEABVAAAHgAIAAAADAzhmAYzzoMABACoAiVSfACCCAElIgAfiAEObMiMZzLEvZucMShvxzfI6aeY+C6OIAAACAAIAABAAAAQABAAAAAAAAAAAA== > benzyl (8R)-2'-benzoylimino-3'-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-dioxo-2-phenyl-spiro[5H-[1,2,4]triazolo[1,2-a]pyridazine-8,5'-imidazolidine]-1'-carboxylate > (8R)-2'-benzoylimino-3'-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-dioxo-2-phenyl-1'-spiro[5H-[1,2,4]triazolo[1,2-a]pyridazine-8,5'-imidazolidine]carboxylic acid (phenylmethyl) ester > benzyl (8R)-2'-benzoylimino-3'-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-dioxo-2-phenylspiro[5H-[1,2,4]triazolo[1,2-a]pyridazine-8,5'-imidazolidine]-1'-carboxylate > benzyl (8R)-2'-benzoylimino-3'-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-dioxo-2-phenylspiro[5H-[1,2,4]triazolo[1,2-a]pyridazine-8,5'-imidazolidine]-1'-carboxylate > (phenylmethyl) (8R)-3'-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-bis(oxidanylidene)-2-phenyl-2'-(phenylcarbonylimino)spiro[5H-[1,2,4]triazolo[1,2-a]pyridazine-8,5'-imidazolidine]-1'-carboxylate > (8R)-2'-benzoylimino-3'-(2,4-dimethoxybenzyl)-1,3-diketo-6-methyl-2-phenyl-spiro[5H-[1,2,4]triazolo[1,2-a]pyridazine-8,5'-imidazolidine]-1'-carboxylic acid benzyl ester > InChI=1S/C39H36N6O7/c1-27-22-39(45-37(48)43(36(47)42(45)23-27)31-17-11-6-12-18-31)26-41(24-30-19-20-32(50-2)21-33(30)51-3)35(40-34(46)29-15-9-5-10-16-29)44(39)38(49)52-25-28-13-7-4-8-14-28/h4-22H,23-26H2,1-3H3/t39-/m1/s1 > XSMDLBXCVSJSIT-LDLOPFEMSA-N > 5.3 > 700.26454751 > C39H36N6O7 > 700.7 > CC1=CC2(CN(C(=NC(=O)C3=CC=CC=C3)N2C(=O)OCC4=CC=CC=C4)CC5=C(C=C(C=C5)OC)OC)N6C(=O)N(C(=O)N6C1)C7=CC=CC=C7 > CC1=C[C@]2(CN(C(=NC(=O)C3=CC=CC=C3)N2C(=O)OCC4=CC=CC=C4)CC5=C(C=C(C=C5)OC)OC)N6C(=O)N(C(=O)N6C1)C7=CC=CC=C7 > 125 > 700.26454751 > 0 > 52 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 22 8 12 20 8 12 22 8 25 27 8 25 28 8 26 30 8 26 31 8 27 33 8 28 34 8 30 36 8 31 37 8 33 38 8 34 38 8 35 41 8 35 42 8 36 40 8 37 40 8 39 44 8 39 45 8 41 46 8 42 47 8 44 48 8 45 49 8 46 50 8 47 50 8 48 52 8 49 52 8 8 11 8 8 20 8 14 9 5 $$$$