10101202 -OEChem-05241310102D 86 90 0 1 0 0 0 0 0999 V2000 6.0248 -2.7544 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 4.5405 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8214 5.9065 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 4.1745 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 9.0405 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0534 8.0405 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0534 8.0405 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5176 4.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 -5.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 -4.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8243 0.4532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 4.0405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 -2.5853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -4.2489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1516 2.6745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4934 1.1963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2855 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8947 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 1.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8207 3.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6515 3.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8461 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1333 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 -0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 -1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -1.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7988 3.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0286 4.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8169 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 5.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8223 -1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 5.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -3.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 5.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 7.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 5.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3214 5.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 8.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1407 -4.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -6.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -7.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -7.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -7.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 -8.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -9.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7156 0.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 2.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 1.9829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4316 1.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2591 2.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3591 0.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0777 0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2682 3.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 -0.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6808 -0.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0784 1.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 0.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6295 -0.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2319 -1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9900 -1.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6776 -1.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6699 2.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4053 3.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9277 3.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6350 4.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1575 5.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4221 4.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 3.7305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3961 4.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9976 5.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5123 -1.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4564 6.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 4.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 -4.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 6.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 -5.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 -6.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -7.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 -7.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 -8.7049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 -8.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 -9.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 33 1 0 0 0 0 2 39 1 0 0 0 0 3 39 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 6 40 1 0 0 0 0 7 40 1 0 0 0 0 8 21 2 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 41 2 0 0 0 0 16 11 1 1 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 21 1 0 0 0 0 12 30 1 0 0 0 0 12 72 1 0 0 0 0 13 31 1 0 0 0 0 13 33 2 0 0 0 0 14 33 1 0 0 0 0 14 41 1 0 0 0 0 14 78 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 1 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 20 56 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 25 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 29 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 34 36 1 0 0 0 0 34 76 1 0 0 0 0 35 37 2 0 0 0 0 35 77 1 0 0 0 0 36 38 2 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 79 1 0 0 0 0 42 43 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 44 82 1 0 0 0 0 45 47 2 0 0 0 0 45 83 1 0 0 0 0 46 48 2 0 0 0 0 46 84 1 0 0 0 0 47 48 1 0 0 0 0 47 85 1 0 0 0 0 48 86 1 0 0 0 0 M END > 10101202 > 1 > 1060 > 12 > 2 > 10 > AAADcfB/scBAAAAAAAAAAAAAAAAAAeIAAAA8YIAAAAAAAAAB0AAAHwQQAAAADyjh2hY/mZPIFAisAjF3fACC8KlxCDlJ2I0oTImIJjLgsRmMMAhsxwPI6CecyWAfgAACAAAAAAAAAAQAAAAAACAAAAAAAA== > benzyl N-[5-[1-[(1R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-isopropyl-cyclopentyl]-4-piperidyl]thiazol-2-yl]carbamate > N-[5-[1-[(1R,3S)-3-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]-oxomethyl]-3-propan-2-ylcyclopentyl]-4-piperidinyl]-2-thiazolyl]carbamic acid (phenylmethyl) ester > benzyl N-[5-[1-[(1R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]-1,3-thiazol-2-yl]carbamate > (phenylmethyl) N-[5-[1-[(1R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-propan-2-yl-cyclopentyl]piperidin-4-yl]-1,3-thiazol-2-yl]carbamate > N-[5-[1-[(1R,3S)-3-[[3,5-bis(trifluoromethyl)benzyl]carbamoyl]-3-isopropyl-cyclopentyl]-4-piperidyl]thiazol-2-yl]carbamic acid benzyl ester > InChI=1S/C34H38F6N4O3S/c1-21(2)32(29(45)41-18-23-14-25(33(35,36)37)16-26(15-23)34(38,39)40)11-8-27(17-32)44-12-9-24(10-13-44)28-19-42-30(48-28)43-31(46)47-20-22-6-4-3-5-7-22/h3-7,14-16,19,21,24,27H,8-13,17-18,20H2,1-2H3,(H,41,45)(H,42,43,46)/t27-,32+/m1/s1 > VMFNBZMWSFFJLS-ZUKKLESISA-N > 7.6 > 696.256881 > C34H38F6N4O3S > 696.745939 > CC(C)C1(CCC(C1)N2CCC(CC2)C3=CN=C(S3)NC(=O)OCC4=CC=CC=C4)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F > CC(C)[C@@]1(CC[C@H](C1)N2CCC(CC2)C3=CN=C(S3)NC(=O)OCC4=CC=CC=C4)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F > 112 > 696.256881 > 0 > 48 > 2 > 0 > 0 > 0 > 0 > 1 > 6 > 1 5 255 > 1 29 8 1 33 8 16 11 5 13 31 8 13 33 8 15 21 5 29 31 8 32 34 8 32 35 8 34 36 8 35 37 8 36 38 8 37 38 8 43 44 8 43 45 8 44 46 8 45 47 8 46 48 8 47 48 8 $$$$