46861521 -OEChem-05112414472D 73 76 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 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 10.5493 -0.5704 0.0000 O 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 10.1921 1.1244 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 2.9854 1.3757 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 4.6318 0.8377 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 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 7.2566 0.5058 0.0000 C 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 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 7.5673 1.4563 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 10.8600 0.3801 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 9.2136 0.9182 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 12.8170 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0447 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6323 1.5649 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 8.9030 -0.0323 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 6.8742 3.3018 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 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 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 7.1532 1.9178 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 7.3735 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 12.9448 0.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4237 0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6891 1.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4380 -0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1725 -0.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6514 -0.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2389 1.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5044 2.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0256 1.4370 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 9.3170 -0.4938 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 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 27 1 0 0 0 0 1 34 1 0 0 0 0 2 13 2 0 0 0 0 3 20 2 0 0 0 0 4 24 2 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 33 1 0 0 0 0 8 24 1 0 0 0 0 8 26 1 0 0 0 0 8 68 1 0 0 0 0 9 10 2 0 0 0 0 10 35 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 14 25 1 0 0 0 0 14 27 2 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 31 1 0 0 0 0 22 53 1 0 0 0 0 23 32 2 0 0 0 0 23 54 1 0 0 0 0 25 34 2 0 0 0 0 25 55 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 35 1 0 0 0 0 33 36 2 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 36 70 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 38 39 2 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 M END > 46861521 > 1 > 879 > 6 > 2 > 9 > AAADcfB7sABAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAFgB/AAAHgQYAAAADqjF3gSywbPIAAiuAyVyVACDBIQhmhBY2Dm4dJgIYLLglbGUIAhglgDoyAcYAAAKAACAAAAAACAAAQAAAAAAQAAAAAAAAA== > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-(3-thienyl)ethyl]amino]phenyl]-2,2-dimethyl-propanamide > N-[4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(tert-butylamino)-2-oxo-1-(3-thiophenyl)ethyl]amino]phenyl]-2,2-dimethylpropanamide > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]amino]phenyl]-2,2-dimethylpropanamide > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]amino]phenyl]-2,2-dimethylpropanamide > N-[4-[2-(benzotriazol-1-yl)ethanoyl-[2-(tert-butylamino)-2-oxidanylidene-1-thiophen-3-yl-ethyl]amino]phenyl]-2,2-dimethyl-propanamide > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-keto-1-(3-thienyl)ethyl]amino]phenyl]-2,2-dimethyl-propionamide > InChI=1S/C29H34N6O3S/c1-28(2,3)27(38)30-20-11-13-21(14-12-20)35(24(36)17-34-23-10-8-7-9-22(23)32-33-34)25(19-15-16-39-18-19)26(37)31-29(4,5)6/h7-16,18,25H,17H2,1-6H3,(H,30,38)(H,31,37) > NKNVWMCNULJELK-UHFFFAOYSA-N > 4.6 > 546.24131014 > C29H34N6O3S > 546.7 > CC(C)(C)C(=O)NC1=CC=C(C=C1)N(C(C2=CSC=C2)C(=O)NC(C)(C)C)C(=O)CN3C4=CC=CC=C4N=N3 > CC(C)(C)C(=O)NC1=CC=C(C=C1)N(C(C2=CSC=C2)C(=O)NC(C)(C)C)C(=O)CN3C4=CC=CC=C4N=N3 > 138 > 546.24131014 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 27 8 1 34 8 10 35 8 12 13 3 14 25 8 14 27 8 18 22 8 18 23 8 22 31 8 23 32 8 25 34 8 26 31 8 26 32 8 33 35 8 33 36 8 35 37 8 36 38 8 37 39 8 38 39 8 7 33 8 7 9 8 9 10 8 $$$$