69993342 -OEChem-05102419082D 69 70 0 1 0 0 0 0 0999 V2000 9.6602 5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 36 1 0 0 0 0 3 36 1 0 0 0 0 4 16 2 0 0 0 0 5 19 2 0 0 0 0 6 29 2 0 0 0 0 11 7 1 6 0 0 0 7 13 1 0 0 0 0 7 39 1 0 0 0 0 12 8 1 1 0 0 0 8 19 1 0 0 0 0 8 47 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 0 0 0 0 9 48 1 0 0 0 0 10 23 1 0 0 0 0 10 29 1 0 0 0 0 10 62 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 26 1 0 0 0 0 19 23 1 0 0 0 0 20 25 2 0 0 0 0 20 49 1 0 0 0 0 21 24 2 0 0 0 0 21 50 1 0 0 0 0 22 27 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 32 34 2 0 0 0 0 32 67 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 M END > 69993342 > 1 > 734 > 7 > 4 > 11 > AAADcfB7sYAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADCjBmBQyAILAAACIAiFSEACCAAAkAAAIiIGIBMgIYDqA1TGUIQhglgCIiYcYiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > N-[2-[[(1R,2R)-2-[2-(2,4-dimethylphenyl)ethylamino]-1-(ethylcarbamoyl)propyl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide > N-[2-[[(2R,3R)-3-[2-(2,4-dimethylphenyl)ethylamino]-1-(ethylamino)-1-oxobutan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide > N-[2-[[(2R,3R)-3-[2-(2,4-dimethylphenyl)ethylamino]-1-(ethylamino)-1-oxobutan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide > N-[2-[[(2R,3R)-3-[2-(2,4-dimethylphenyl)ethylamino]-1-(ethylamino)-1-oxobutan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide > N-[2-[[(2R,3R)-3-[2-(2,4-dimethylphenyl)ethylamino]-1-(ethylamino)-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide > N-[2-[[(1R,2R)-2-[2-(2,4-dimethylphenyl)ethylamino]-1-(ethylcarbamoyl)propyl]amino]-2-keto-ethyl]-3-(trifluoromethyl)benzamide > InChI=1S/C26H33F3N4O3/c1-5-30-25(36)23(18(4)31-12-11-19-10-9-16(2)13-17(19)3)33-22(34)15-32-24(35)20-7-6-8-21(14-20)26(27,28)29/h6-10,13-14,18,23,31H,5,11-12,15H2,1-4H3,(H,30,36)(H,32,35)(H,33,34)/t18-,23-/m1/s1 > NKQSAFINQRVFPM-WZONZLPQSA-N > 3.9 > 506.25047541 > C26H33F3N4O3 > 506.6 > CCNC(=O)C(C(C)NCCC1=C(C=C(C=C1)C)C)NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F > CCNC(=O)[C@@H]([C@@H](C)NCCC1=C(C=C(C=C1)C)C)NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F > 99.3 > 506.25047541 > 0 > 36 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 18 8 17 20 8 18 21 8 20 25 8 21 24 8 24 25 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 11 7 6 12 8 5 $$$$