69128361 -OEChem-04232405212D 71 74 0 1 0 0 0 0 0999 V2000 10.6603 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 2 62 1 0 0 0 0 3 16 2 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 44 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 8 35 1 0 0 0 0 8 40 2 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 19 1 0 0 0 0 12 23 2 0 0 0 0 13 17 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 0 0 0 0 15 21 2 0 0 0 0 15 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 28 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 24 29 1 0 0 0 0 24 56 1 0 0 0 0 25 31 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 31 35 2 0 0 0 0 32 36 1 0 0 0 0 32 63 1 0 0 0 0 33 37 2 0 0 0 0 33 64 1 0 0 0 0 34 38 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 39 2 0 0 0 0 36 67 1 0 0 0 0 37 39 1 0 0 0 0 37 68 1 0 0 0 0 38 40 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 M END > 69128361 > 1 > 808 > 7 > 2 > 13 > AAADceB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHgAQCAAADCzhmgY+zpPIFgCoArX3XACCiCA1IiAI2KG+bNgOJvrE9buHeajk1hHY6ceYyeCOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 2-(2-benzoylanilino)-3-[4-[2-[ethyl(pyridine-3-carbonyl)amino]ethoxy]phenyl]propanoic acid > 2-(2-benzoylanilino)-3-[4-[2-[ethyl-[oxo(3-pyridinyl)methyl]amino]ethoxy]phenyl]propanoic acid > 2-(2-benzoylanilino)-3-[4-[2-[ethyl(pyridine-3-carbonyl)amino]ethoxy]phenyl]propanoic acid > 2-(2-benzoylanilino)-3-[4-[2-[ethyl(pyridine-3-carbonyl)amino]ethoxy]phenyl]propanoic acid > 3-[4-[2-[ethyl(pyridin-3-ylcarbonyl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid > 2-(2-benzoylanilino)-3-[4-[2-[ethyl(nicotinoyl)amino]ethoxy]phenyl]propionic acid > InChI=1S/C32H31N3O5/c1-2-35(31(37)25-11-8-18-33-22-25)19-20-40-26-16-14-23(15-17-26)21-29(32(38)39)34-28-13-7-6-12-27(28)30(36)24-9-4-3-5-10-24/h3-18,22,29,34H,2,19-21H2,1H3,(H,38,39) > GQJQPESTQWQNII-UHFFFAOYSA-N > 5.8 > 537.22637110 > C32H31N3O5 > 537.6 > CCN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)C4=CN=CC=C4 > CCN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)C4=CN=CC=C4 > 109 > 537.22637110 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 8 11 15 8 12 19 8 12 23 8 14 20 8 15 21 8 18 20 8 18 21 8 19 24 8 23 27 8 24 29 8 27 29 8 30 32 8 30 33 8 31 34 8 31 35 8 32 36 8 33 37 8 34 38 8 36 39 8 37 39 8 38 40 8 8 35 8 8 40 8 9 10 3 $$$$