44246997 -OEChem-05092408212D 86 89 0 1 0 0 0 0 0999 V2000 7.9548 4.6186 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.6023 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 6.9683 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 5.2363 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7589 9.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7589 5.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8284 8.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3352 9.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0037 4.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9058 4.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7187 0.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9632 7.5376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0319 7.5376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2638 5.5696 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.5020 8.0376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5020 7.0376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5510 8.3466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5510 6.7286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4482 8.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 6.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 9.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 5.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7419 8.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0319 7.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6521 10.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 6.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5319 6.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 10.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3952 10.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6165 6.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 3.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0194 9.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 11.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1873 11.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5319 6.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0319 5.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2362 12.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3149 2.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 3.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0319 5.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5319 4.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5319 4.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0059 1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3586 2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0277 1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7406 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5031 8.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5031 6.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 6.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3432 7.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3486 8.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2408 9.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2636 5.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 5.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6145 7.7497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9242 8.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1205 6.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 6.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2403 10.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9849 10.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 6.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 5.9760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 5.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 9.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 9.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 8.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9034 11.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6481 12.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8419 7.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4119 5.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1073 12.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9214 3.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2528 3.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6519 5.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2219 4.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8419 4.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4207 1.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 2.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6117 1.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1341 0.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8695 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 16 1 0 0 0 0 1 33 1 0 0 0 0 2 49 1 0 0 0 0 3 49 1 0 0 0 0 4 49 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 25 1 0 0 0 0 7 34 1 0 0 0 0 8 25 2 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 50 1 0 0 0 0 12 86 1 0 0 0 0 13 50 2 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 54 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 26 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 6 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 52 1 6 0 0 0 19 23 1 6 0 0 0 19 25 1 0 0 0 0 20 24 1 1 0 0 0 20 53 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 26 29 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 37 2 0 0 0 0 29 38 1 0 0 0 0 30 35 1 0 0 0 0 30 63 1 0 0 0 0 31 36 2 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 40 2 0 0 0 0 33 41 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 39 2 0 0 0 0 35 71 1 0 0 0 0 36 39 1 0 0 0 0 36 72 1 0 0 0 0 37 42 1 0 0 0 0 37 73 1 0 0 0 0 38 43 2 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 40 45 1 0 0 0 0 40 76 1 0 0 0 0 41 46 2 0 0 0 0 41 77 1 0 0 0 0 42 44 2 0 0 0 0 42 78 1 0 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 45 47 2 0 0 0 0 45 81 1 0 0 0 0 46 47 1 0 0 0 0 46 82 1 0 0 0 0 48 83 1 0 0 0 0 48 84 1 0 0 0 0 48 85 1 0 0 0 0 49 50 1 0 0 0 0 M END > 44246997 > 1 > 1190 > 14 > 2 > 12 > AAADcfB/PYBAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAWAAABUAAAHwQQSAAADazB2BYyD4PABgKIAiHSGHDCCBAgIAAIiJmODIgOZjqE8TuVMChk1jGYqAe/3+OegIAAAAAAAAABAAAAAAAAAAAAAAAAAA== > methyl (1S,3R,3aS,6aR)-3,5-dibenzyl-1-[[ethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid > (1S,3R,3aS,6aR)-1-[[ethyl-(4-methoxyphenyl)sulfonylamino]methyl]-4,6-dioxo-3,5-bis(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid > methyl (1S,3R,3aS,6aR)-3,5-dibenzyl-1-[[ethyl-(4-methoxyphenyl)sulfonylamino]methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid > methyl (1S,3R,3aS,6aR)-3,5-dibenzyl-1-[[ethyl-(4-methoxyphenyl)sulfonylamino]methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid > methyl (1S,3R,3aS,6aR)-1-[[ethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-4,6-bis(oxidanylidene)-3,5-bis(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-tris(fluoranyl)ethanoic acid > (1S,3R,3aS,6aR)-3,5-dibenzyl-1-[[ethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid > InChI=1S/C32H35N3O7S.C2HF3O2/c1-4-34(43(39,40)25-17-15-24(41-2)16-18-25)21-26-27-28(30(37)35(29(27)36)20-23-13-9-6-10-14-23)32(33-26,31(38)42-3)19-22-11-7-5-8-12-22;3-2(4,5)1(6)7/h5-18,26-28,33H,4,19-21H2,1-3H3;(H,6,7)/t26-,27+,28-,32-;/m1./s1 > XEAYIYHNWOPOCB-DFIRYKNVSA-N > 719.21243539 > C34H36F3N3O9S > 719.7 > CCN(CC1C2C(C(=O)N(C2=O)CC3=CC=CC=C3)C(N1)(CC4=CC=CC=C4)C(=O)OC)S(=O)(=O)C5=CC=C(C=C5)OC.C(=O)(C(F)(F)F)O > CCN(C[C@@H]1[C@H]2[C@H](C(=O)N(C2=O)CC3=CC=CC=C3)[C@](N1)(CC4=CC=CC=C4)C(=O)OC)S(=O)(=O)C5=CC=C(C=C5)OC.C(=O)(C(F)(F)F)O > 168 > 719.21243539 > 0 > 50 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 17 51 6 18 52 6 19 23 6 20 24 5 27 30 8 27 31 8 29 37 8 29 38 8 30 35 8 31 36 8 33 40 8 33 41 8 35 39 8 36 39 8 37 42 8 38 43 8 40 45 8 41 46 8 42 44 8 43 44 8 45 47 8 46 47 8 $$$$