46861526 -OEChem-05092412462D 74 77 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 11.8385 0.5864 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 5.2619 -2.6124 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 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 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 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 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 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 9.2136 0.9182 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 13.4848 0.0483 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 12.5063 -0.1579 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 14.1527 -0.6960 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 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 7.3735 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 7.1532 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 7.3765 3.6653 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 2.8660 -0.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0915 0.1761 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 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 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 13.6912 -1.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5667 -1.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6141 -0.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3848 0.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9881 1.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2062 1.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 3 20 2 0 0 0 0 4 35 1 0 0 0 0 4 40 1 0 0 0 0 5 40 2 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 10 30 1 0 0 0 0 10 40 1 0 0 0 0 10 63 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 15 22 1 0 0 0 0 15 23 2 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 27 2 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 28 1 0 0 0 0 24 56 1 0 0 0 0 25 29 2 0 0 0 0 25 57 1 0 0 0 0 26 31 1 0 0 0 0 26 32 2 0 0 0 0 27 58 1 0 0 0 0 28 30 2 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 31 34 2 0 0 0 0 32 36 1 0 0 0 0 32 61 1 0 0 0 0 33 35 1 0 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 33 62 1 0 0 0 0 34 37 1 0 0 0 0 34 66 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 M END > 46861526 > 1 > 875 > 7 > 2 > 11 > AAADcfB7uABAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAFgB/AAAHgQYAAAADajl3gayybPIBAiuAyVyXACDBIQhmhBY2Dm4dJkIYLLglbGcIAhglgDoyAcYAAAKAACAAAAAACAAAQAAAAAAQAAAAAAAAA== > isobutyl N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-(3-thienyl)ethyl]amino]phenyl]carbamate > N-[4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(tert-butylamino)-2-oxo-1-(3-thiophenyl)ethyl]amino]phenyl]carbamic acid 2-methylpropyl ester > 2-methylpropyl N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]amino]phenyl]carbamate > 2-methylpropyl N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]amino]phenyl]carbamate > 2-methylpropyl N-[4-[2-(benzotriazol-1-yl)ethanoyl-[2-(tert-butylamino)-2-oxidanylidene-1-thiophen-3-yl-ethyl]amino]phenyl]carbamate > N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(tert-butylamino)-2-keto-1-(3-thienyl)ethyl]amino]phenyl]carbamic acid isobutyl ester > InChI=1S/C29H34N6O4S/c1-19(2)17-39-28(38)30-21-10-12-22(13-11-21)35(25(36)16-34-24-9-7-6-8-23(24)32-33-34)26(20-14-15-40-18-20)27(37)31-29(3,4)5/h6-15,18-19,26H,16-17H2,1-5H3,(H,30,38)(H,31,37) > SHCNGYWDKRQJSZ-UHFFFAOYSA-N > 4.9 > 562.23622476 > C29H34N6O4S > 562.7 > CC(C)COC(=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)COC(=O)NC1=CC=C(C=C1)N(C(C2=CSC=C2)C(=O)NC(C)(C)C)C(=O)CN3C4=CC=CC=C4N=N3 > 147 > 562.23622476 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 23 8 1 27 8 11 31 8 13 14 3 15 22 8 15 23 8 19 24 8 19 25 8 22 27 8 24 28 8 25 29 8 26 31 8 26 32 8 28 30 8 29 30 8 31 34 8 32 36 8 34 37 8 36 37 8 8 26 8 8 9 8 9 11 8 $$$$