46861524 -OEChem-04242415262D 77 81 0 1 0 0 0 0 0999 V2000 5.9237 3.6124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -0.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.1244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 1.5820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.8077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.6124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 1.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.0439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9854 1.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 1.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1916 0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8725 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 2.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 3.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6459 -0.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9800 -0.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7376 -0.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1286 2.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5353 1.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5054 -0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0986 -0.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6540 2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8964 2.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3424 0.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1780 1.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3847 1.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2169 1.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 2.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 -0.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 2.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 -0.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 1.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 1.7762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 1.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1348 0.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3859 2.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6513 2.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 2.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 0.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 -0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3735 1.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 2.8055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3765 3.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 17 2 0 0 0 0 3 22 2 0 0 0 0 4 31 2 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 53 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 31 1 0 0 0 0 7 20 1 0 0 0 0 7 22 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 19 54 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 23 26 1 0 0 0 0 23 56 1 0 0 0 0 24 27 2 0 0 0 0 24 57 1 0 0 0 0 25 33 1 0 0 0 0 25 34 2 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 35 2 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 38 40 1 0 0 0 0 38 74 1 0 0 0 0 39 41 1 0 0 0 0 39 75 1 0 0 0 0 40 41 2 0 0 0 0 40 76 1 0 0 0 0 41 77 1 0 0 0 0 M END > 46861524 > 1 > 914 > 6 > 2 > 9 > AAADcfB7sABAAAAAAAAAAAAAAAAAAWJAAAAwYMAAAAAAAFgB/AAAHgQYAAAADajF3gSywbPIAAiuAyVyVACDBIQhmhBY2Dm4dJgIYLLglbGUIAhglgDoyAcYiACOAACAAAAAACAAAQAAAAAAQAAAAAAAAA== > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-(3-thienyl)ethyl]amino]phenyl]cyclohexanecarboxamide > N-[4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(tert-butylamino)-2-oxo-1-(3-thiophenyl)ethyl]amino]phenyl]cyclohexanecarboxamide > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]amino]phenyl]cyclohexanecarboxamide > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]amino]phenyl]cyclohexanecarboxamide > N-[4-[2-(benzotriazol-1-yl)ethanoyl-[2-(tert-butylamino)-2-oxidanylidene-1-thiophen-3-yl-ethyl]amino]phenyl]cyclohexanecarboxamide > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-keto-1-(3-thienyl)ethyl]amino]phenyl]cyclohexanecarboxamide > InChI=1S/C31H36N6O3S/c1-31(2,3)33-30(40)28(22-17-18-41-20-22)37(27(38)19-36-26-12-8-7-11-25(26)34-35-36)24-15-13-23(14-16-24)32-29(39)21-9-5-4-6-10-21/h7-8,11-18,20-21,28H,4-6,9-10,19H2,1-3H3,(H,32,39)(H,33,40) > DBFPIBZGJTUCFF-UHFFFAOYSA-N > 5.3 > 572.25696021 > C31H36N6O3S > 572.7 > CC(C)(C)NC(=O)C(C1=CSC=C1)N(C2=CC=C(C=C2)NC(=O)C3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4 > CC(C)(C)NC(=O)C(C1=CSC=C1)N(C2=CC=C(C=C2)NC(=O)C3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4 > 138 > 572.25696021 > 0 > 41 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 34 8 1 35 8 10 37 8 18 23 8 18 24 8 19 22 3 21 26 8 21 27 8 23 26 8 24 27 8 25 33 8 25 34 8 33 35 8 36 37 8 36 38 8 37 39 8 38 40 8 39 41 8 40 41 8 8 36 8 8 9 8 9 10 8 $$$$