51515584 -OEChem-04252402222D 60 63 0 1 0 0 0 0 0999 V2000 5.9955 2.8044 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -0.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 -1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 1.5820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 0.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 -1.8077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 -2.6124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 -3.4172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 1.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 1.0439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4401 2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 1.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6284 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9176 0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2282 1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5854 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5352 3.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5847 3.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -3.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2067 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5639 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8746 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -3.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -3.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 0.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 0.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8175 2.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0786 0.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 2.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 2.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 2.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 0.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4592 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 2.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 2.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 1.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 -0.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 -0.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0344 1.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8142 1.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3928 -0.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0374 3.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3941 4.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3993 2.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9780 -0.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4812 1.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -0.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -4.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -1.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -3.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 17 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 36 1 0 0 0 0 11 5 1 1 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 24 1 0 0 0 0 20 49 1 0 0 0 0 21 27 1 0 0 0 0 21 50 1 0 0 0 0 22 28 2 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 23 30 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 31 2 0 0 0 0 27 29 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 M END > 51515584 > 1 > 684 > 5 > 1 > 8 > AAADceB7sABAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAFgB/AAAHgQYAAAADKjF1gSywbPIAAiuASVyVACDBIQhmhBY2Dm4dJgIYLLglbGUIAhglgDoyAcYCAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(1,1-dimethylpropyl)-2-(2-thienyl)acetamide > (2S)-2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]anilino)-N-(2-methylbutan-2-yl)-2-thiophen-2-ylacetamide > (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methylbutan-2-yl)-2-thiophen-2-ylacetamide > (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methylbutan-2-yl)-2-thiophen-2-ylacetamide > (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-phenyl-amino]-N-(2-methylbutan-2-yl)-2-thiophen-2-yl-ethanamide > (2S)-N-tert-amyl-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-thienyl)acetamide > InChI=1S/C25H27N5O2S/c1-4-25(2,3)26-24(32)23(21-15-10-16-33-21)30(18-11-6-5-7-12-18)22(31)17-29-20-14-9-8-13-19(20)27-28-29/h5-16,23H,4,17H2,1-3H3,(H,26,32)/t23-/m1/s1 > CKAPGNFQEBRHLE-HSZRJFAPSA-N > 4.6 > 461.18854629 > C25H27N5O2S > 461.6 > CCC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3 > CCC(C)(C)NC(=O)[C@@H](C1=CC=CS1)N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=N3 > 108 > 461.18854629 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 16 8 1 25 8 16 20 8 18 21 8 18 22 8 20 24 8 21 27 8 22 28 8 23 26 8 23 30 8 24 25 8 26 31 8 27 29 8 28 29 8 30 32 8 31 33 8 32 33 8 11 5 5 6 23 8 6 7 8 7 8 8 8 26 8 $$$$