69125848 -OEChem-04252413072D 77 80 0 1 0 0 0 0 0999 V2000 10.6603 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.0000 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 10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.0000 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 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.5000 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 7.1962 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.5000 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 2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5000 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 6.6592 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1900 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 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 16 2 0 0 0 0 3 22 1 0 0 0 0 3 70 1 0 0 0 0 4 22 2 0 0 0 0 5 30 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 9 7 1 1 0 0 0 7 17 1 0 0 0 0 7 48 1 0 0 0 0 8 34 1 0 0 0 0 8 39 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 14 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 26 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 17 25 1 0 0 0 0 17 28 2 0 0 0 0 18 27 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 23 1 0 0 0 0 19 57 1 0 0 0 0 20 24 2 0 0 0 0 20 58 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 33 1 0 0 0 0 27 34 2 0 0 0 0 28 31 1 0 0 0 0 28 64 1 0 0 0 0 29 32 1 0 0 0 0 29 65 1 0 0 0 0 30 35 1 0 0 0 0 31 32 2 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 36 2 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 71 1 0 0 0 0 37 40 1 0 0 0 0 37 72 1 0 0 0 0 38 41 2 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 M END > 69125848 > 1 > 839 > 7 > 2 > 15 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHgAQCAAADCzhmgY+zpPIFgCoArX3XACCiCA1IiAI2KG+bNgOJvrEtbuHeajk1hHY6ceYyeCOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-(2-benzoylanilino)-3-[4-[2-[ethyl-[3-(3-pyridyl)propanoyl]amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[ethyl-[1-oxo-3-(3-pyridinyl)propyl]amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[ethyl(3-pyridin-3-ylpropanoyl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[ethyl(3-pyridin-3-ylpropanoyl)amino]ethoxy]phenyl]propanoic acid > (2S)-3-[4-[2-[ethyl(3-pyridin-3-ylpropanoyl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[ethyl-[3-(3-pyridyl)propanoyl]amino]ethoxy]phenyl]propionic acid > InChI=1S/C34H35N3O5/c1-2-37(32(38)19-16-26-9-8-20-35-24-26)21-22-42-28-17-14-25(15-18-28)23-31(34(40)41)36-30-13-7-6-12-29(30)33(39)27-10-4-3-5-11-27/h3-15,17-18,20,24,31,36H,2,16,19,21-23H2,1H3,(H,40,41)/t31-/m0/s1 > IPDBMSPCTTYULH-HKBQPEDESA-N > 6 > 565.25767123 > C34H35N3O5 > 565.7 > CCN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)CCC4=CN=CC=C4 > CCN(CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)CCC4=CN=CC=C4 > 109 > 565.25767123 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 19 8 12 20 8 17 25 8 17 28 8 19 23 8 20 24 8 21 23 8 21 24 8 25 29 8 27 33 8 27 34 8 28 31 8 29 32 8 31 32 8 33 36 8 35 37 8 35 38 8 36 39 8 37 40 8 38 41 8 40 42 8 41 42 8 9 7 5 8 34 8 8 39 8 $$$$