69126523 -OEChem-04262419542D 80 83 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 14.1244 6.5000 0.0000 N 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 11.5263 1.0000 0.0000 C 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 12.3923 2.5000 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 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 8.0622 -2.0000 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 9.7942 -1.0000 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 8.0622 -1.0000 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 9.7942 4.0000 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 9.7942 -2.0000 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 13.2583 5.0000 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 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 12.3923 5.5000 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 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 3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.5000 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 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 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 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 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 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 11.2708 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 4.0826 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 5.7932 -3.6900 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 8.9282 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 4.5369 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 9.4842 3.4631 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 10.3312 -2.3100 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 11.8554 5.1900 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 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 9.4651 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 6.8100 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 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 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 15 1 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 3 26 1 0 0 0 0 3 73 1 0 0 0 0 4 26 2 0 0 0 0 5 31 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 11 7 1 1 0 0 0 7 20 1 0 0 0 0 7 59 1 0 0 0 0 8 33 1 0 0 0 0 8 38 2 0 0 0 0 9 14 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 15 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 48 1 0 0 0 0 12 17 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 16 1 0 0 0 0 14 23 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 18 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 27 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 28 1 0 0 0 0 20 29 2 0 0 0 0 21 24 1 0 0 0 0 21 60 1 0 0 0 0 22 25 2 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 27 32 1 0 0 0 0 27 33 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 34 1 0 0 0 0 29 67 1 0 0 0 0 30 35 1 0 0 0 0 30 68 1 0 0 0 0 31 36 1 0 0 0 0 32 37 2 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 34 35 2 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 39 41 1 0 0 0 0 39 76 1 0 0 0 0 40 42 2 0 0 0 0 40 77 1 0 0 0 0 41 43 2 0 0 0 0 41 78 1 0 0 0 0 42 43 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 M END > 69126523 > 1 > 854 > 7 > 2 > 16 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHgAQCAAADCzhmgY+zpPIFgCoArX3XACCiCA1IiAI2KG+bNgOJvrEtbuHeajk1hHY6ceYyeCOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-(2-benzoylanilino)-3-[4-[2-[propyl-[3-(3-pyridyl)propanoyl]amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[[1-oxo-3-(3-pyridinyl)propyl]-propylamino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[propyl(3-pyridin-3-ylpropanoyl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[propyl(3-pyridin-3-ylpropanoyl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-[[2-(phenylcarbonyl)phenyl]amino]-3-[4-[2-[propyl(3-pyridin-3-ylpropanoyl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[propyl-[3-(3-pyridyl)propanoyl]amino]ethoxy]phenyl]propionic acid > InChI=1S/C35H37N3O5/c1-2-21-38(33(39)19-16-27-9-8-20-36-25-27)22-23-43-29-17-14-26(15-18-29)24-32(35(41)42)37-31-13-7-6-12-30(31)34(40)28-10-4-3-5-11-28/h3-15,17-18,20,25,32,37H,2,16,19,21-24H2,1H3,(H,41,42)/t32-/m0/s1 > RUVGIOPMODJWSO-YTTGMZPUSA-N > 6.6 > 579.27332129 > C35H37N3O5 > 579.7 > CCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)CCC4=CN=CC=C4 > CCCN(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 > 579.27332129 > 0 > 43 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 21 8 17 22 8 19 24 8 19 25 8 20 28 8 20 29 8 21 24 8 22 25 8 27 32 8 27 33 8 28 30 8 29 34 8 30 35 8 32 37 8 34 35 8 36 39 8 36 40 8 37 38 8 39 41 8 40 42 8 41 43 8 42 43 8 11 7 5 8 33 8 8 38 8 $$$$