68934188 -OEChem-05142412492D 66 69 0 1 0 0 0 0 0999 V2000 10.6603 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8783 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 12 1 0 0 0 0 2 55 1 0 0 0 0 3 12 2 0 0 0 0 4 21 2 0 0 0 0 8 5 1 1 0 0 0 5 11 1 0 0 0 0 5 41 1 0 0 0 0 6 25 1 0 0 0 0 6 27 1 0 0 0 0 6 54 1 0 0 0 0 7 27 1 0 0 0 0 7 37 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 19 2 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 14 43 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 24 1 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 56 1 0 0 0 0 29 32 2 0 0 0 0 29 57 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 31 35 2 0 0 0 0 31 58 1 0 0 0 0 32 35 1 0 0 0 0 32 59 1 0 0 0 0 33 36 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 M END > 68934188 > 1 > 705 > 7 > 3 > 12 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHgAQCAAADCzhmgY//pLIFgCoArb3bACCiCk1IiAJ2KG+bNiOJvrEvbuHeajs0BPY6eeYyOCOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-(2-benzoylanilino)-3-[4-[2-[(3-methyl-2-pyridyl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[(3-methyl-2-pyridinyl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[(3-methylpyridin-2-yl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[(3-methylpyridin-2-yl)amino]ethoxy]phenyl]propanoic acid > (2S)-3-[4-[2-[(3-methylpyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-[(3-methyl-2-pyridyl)amino]ethoxy]phenyl]propionic acid > InChI=1S/C30H29N3O4/c1-21-8-7-17-31-29(21)32-18-19-37-24-15-13-22(14-16-24)20-27(30(35)36)33-26-12-6-5-11-25(26)28(34)23-9-3-2-4-10-23/h2-17,27,33H,18-20H2,1H3,(H,31,32)(H,35,36)/t27-/m0/s1 > GNEGDOSUSQKBPU-MHZLTWQESA-N > 6.7 > 495.21580641 > C30H29N3O4 > 495.6 > CC1=C(N=CC=C1)NCCOC2=CC=C(C=C2)CC(C(=O)O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4 > CC1=C(N=CC=C1)NCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4 > 101 > 495.21580641 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 10 14 8 11 15 8 11 19 8 13 17 8 14 18 8 15 20 8 16 17 8 16 18 8 19 22 8 20 24 8 22 24 8 26 28 8 26 29 8 27 30 8 28 31 8 29 32 8 30 33 8 31 35 8 32 35 8 33 36 8 36 37 8 8 5 5 7 27 8 7 37 8 $$$$