70695055 -OEChem-04242423372D 59 62 0 1 0 0 0 0 0999 V2000 7.1962 -0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 23 2 0 0 0 0 7 3 1 6 0 0 0 3 9 1 0 0 0 0 3 37 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 42 1 0 0 0 0 5 23 1 0 0 0 0 5 25 1 0 0 0 0 5 52 1 0 0 0 0 6 32 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 34 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 14 43 1 0 0 0 0 15 21 2 0 0 0 0 15 44 1 0 0 0 0 16 19 2 0 0 0 0 16 23 1 0 0 0 0 17 26 1 0 0 0 0 17 45 1 0 0 0 0 18 27 2 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 20 24 2 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 22 25 2 0 0 0 0 22 28 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 29 2 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 M END > 70695055 > 1 > 714 > 4 > 3 > 9 > AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAAAB0AAAHgAQAAAADCjBmgQ8gJLIEACoAjV3VACCgCAxAiAI2KG4ZNgIYHLAkbGUIAhglgDIyYcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-N-[2-oxo-5-(4-pyridyl)-1H-pyridin-3-yl]-3-phenyl-2-(2-phenylethylamino)propanamide > (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(2-phenylethylamino)propanamide > (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(2-phenylethylamino)propanamide > (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(2-phenylethylamino)propanamide > (2S)-N-(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(2-phenylethylamino)propanamide > (2S)-N-[2-keto-5-(4-pyridyl)-1H-pyridin-3-yl]-2-(phenethylamino)-3-phenyl-propionamide > InChI=1S/C27H26N4O2/c32-26-25(18-23(19-30-26)22-12-14-28-15-13-22)31-27(33)24(17-21-9-5-2-6-10-21)29-16-11-20-7-3-1-4-8-20/h1-10,12-15,18-19,24,29H,11,16-17H2,(H,30,32)(H,31,33)/t24-/m0/s1 > DKCBDVYPDFSXEL-DEOSSOPVSA-N > 3.2 > 438.20557608 > C27H26N4O2 > 438.5 > C1=CC=C(C=C1)CCNC(CC2=CC=CC=C2)C(=O)NC3=CC(=CNC3=O)C4=CC=NC=C4 > C1=CC=C(C=C1)CCN[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC(=CNC3=O)C4=CC=NC=C4 > 83.1 > 438.20557608 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 15 8 13 17 8 13 18 8 14 20 8 15 21 8 16 19 8 16 23 8 17 26 8 18 27 8 19 22 8 20 24 8 21 24 8 22 25 8 26 29 8 27 29 8 28 30 8 28 31 8 7 3 6 30 32 8 31 33 8 5 23 8 5 25 8 6 32 8 6 33 8 $$$$