46861522 -OEChem-06191322402D 68 72 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 12.7890 0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5828 1.2542 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 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 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 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 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 11.5580 1.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1580 1.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2551 1.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7016 -0.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4087 0.2963 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 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 4.1565 2.1713 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 2.5850 0.2694 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 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 31 1 0 0 0 0 1 33 1 0 0 0 0 2 14 2 0 0 0 0 3 21 2 0 0 0 0 4 28 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 44 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 28 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 45 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 20 24 2 0 0 0 0 20 47 1 0 0 0 0 22 30 1 0 0 0 0 22 31 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 52 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 33 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 35 65 1 0 0 0 0 36 38 1 0 0 0 0 36 66 1 0 0 0 0 37 38 2 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END > 46861522 > 1 > 869 > 6 > 2 > 9 > AAADceB7sABAAAAAAAAAAAAAGAAAAWJAAAAwYAAAAAAAAFgB/AAAHgQYAAAADajF3gSywbPIAAiuAyVyVACDBIQhmhBY2Dm4dJgIYLLglbGUIAhglgDoyAcYAAAKAACAAAAAACAAAQAAAAAAQAAAAAAAAA== > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-(3-thienyl)ethyl]amino]phenyl]cyclopropanecarboxamide > N-[4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(tert-butylamino)-2-oxo-1-(3-thiophenyl)ethyl]amino]phenyl]cyclopropanecarboxamide > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]amino]phenyl]cyclopropanecarboxamide > N-[4-[2-(benzotriazol-1-yl)ethanoyl-[2-(tert-butylamino)-2-oxidanylidene-1-thiophen-3-yl-ethyl]amino]phenyl]cyclopropanecarboxamide > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-keto-1-(3-thienyl)ethyl]amino]phenyl]cyclopropanecarboxamide > InChI=1S/C28H30N6O3S/c1-28(2,3)30-27(37)25(19-14-15-38-17-19)34(21-12-10-20(11-13-21)29-26(36)18-8-9-18)24(35)16-33-23-7-5-4-6-22(23)31-32-33/h4-7,10-15,17-18,25H,8-9,16H2,1-3H3,(H,29,36)(H,30,37) > XWLONETVJPZQKQ-UHFFFAOYSA-N > 3.6 > 530.21001 > C28H30N6O3S > 530.6412 > CC(C)(C)NC(=O)C(C1=CSC=C1)N(C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)CN4C5=CC=CC=C5N=N4 > CC(C)(C)NC(=O)C(C1=CSC=C1)N(C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)CN4C5=CC=CC=C5N=N4 > 138 > 530.21001 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > 6 > 1 5 255 > 1 31 8 1 33 8 10 34 8 15 19 8 15 20 8 16 21 3 18 23 8 18 24 8 19 23 8 20 24 8 22 30 8 22 31 8 30 33 8 32 34 8 32 35 8 34 36 8 35 37 8 36 38 8 37 38 8 8 32 8 8 9 8 9 10 8 $$$$