10328412 -OEChem-04262418542D 121127 0 1 0 0 0 0 0999 V2000 14.9904 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 7.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -9.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 -3.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3923 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -8.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -8.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 6.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 5.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -7.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -7.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 7.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -8.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -7.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -10.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 9.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -12.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 7.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -12.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 9.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -12.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -9.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 10.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 10.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -12.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 12.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 12.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -10.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -12.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 12.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -12.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 34 1 0 0 0 0 2 31 1 0 0 0 0 2 35 1 0 0 0 0 3 28 1 0 0 0 0 3110 1 0 0 0 0 4 29 1 0 0 0 0 4111 1 0 0 0 0 5 28 2 0 0 0 0 6 29 2 0 0 0 0 7 50 2 0 0 0 0 8 51 2 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 9 75 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 10 76 1 0 0 0 0 11 26 1 0 0 0 0 11 40 1 0 0 0 0 11 46 1 0 0 0 0 12 27 1 0 0 0 0 12 41 1 0 0 0 0 12 47 1 0 0 0 0 13 40 2 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 14 69 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 15 70 1 0 0 0 0 16 18 1 0 0 0 0 16 71 1 0 0 0 0 16 72 1 0 0 0 0 17 19 1 0 0 0 0 17 73 1 0 0 0 0 17 74 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 32 1 0 0 0 0 20 42 2 0 0 0 0 21 33 1 0 0 0 0 21 43 2 0 0 0 0 22 36 1 0 0 0 0 22 77 1 0 0 0 0 23 37 2 0 0 0 0 23 78 1 0 0 0 0 24 38 1 0 0 0 0 24 79 1 0 0 0 0 25 39 2 0 0 0 0 25 80 1 0 0 0 0 26 34 1 0 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 27 35 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 30 36 2 0 0 0 0 30 37 1 0 0 0 0 31 38 2 0 0 0 0 31 39 1 0 0 0 0 32 44 2 0 0 0 0 32 50 1 0 0 0 0 33 45 2 0 0 0 0 33 51 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 40 48 1 0 0 0 0 41 49 2 0 0 0 0 42 52 1 0 0 0 0 42 93 1 0 0 0 0 43 53 1 0 0 0 0 43 94 1 0 0 0 0 44 55 1 0 0 0 0 44 95 1 0 0 0 0 45 56 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48 54 2 0 0 0 0 48103 1 0 0 0 0 49 54 1 0 0 0 0 49104 1 0 0 0 0 50 57 1 0 0 0 0 51 58 1 0 0 0 0 52 55 2 0 0 0 0 52105 1 0 0 0 0 53 56 2 0 0 0 0 53106 1 0 0 0 0 54107 1 0 0 0 0 55108 1 0 0 0 0 56109 1 0 0 0 0 57 59 2 0 0 0 0 57 60 1 0 0 0 0 58 61 2 0 0 0 0 58 62 1 0 0 0 0 59 63 1 0 0 0 0 59112 1 0 0 0 0 60 64 2 0 0 0 0 60113 1 0 0 0 0 61 65 1 0 0 0 0 61114 1 0 0 0 0 62 66 2 0 0 0 0 62115 1 0 0 0 0 63 67 2 0 0 0 0 63116 1 0 0 0 0 64 67 1 0 0 0 0 64117 1 0 0 0 0 65 68 2 0 0 0 0 65118 1 0 0 0 0 66 68 1 0 0 0 0 66119 1 0 0 0 0 67120 1 0 0 0 0 68121 1 0 0 0 0 M END > 10328412 > 1 > 1430 > 13 > 4 > 24 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGDAAAAAAAB1AAAHgAQCAAADCzhmgYz/pPIFgCoAqbybACCiCklIiAJmKG+bNiOJvrEvbuHeajs0BPY6eeYyOCOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-2-carboxy-ethyl]phenoxy]ethyl-methyl-amino]-2-pyridyl]-methyl-amino]ethoxy]phenyl]propanoic acid > 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-2-carboxyethyl]phenoxy]ethyl-methylamino]-2-pyridinyl]-methylamino]ethoxy]phenyl]propanoic acid > 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-2-carboxyethyl]phenoxy]ethyl-methylamino]pyridin-2-yl]-methylamino]ethoxy]phenyl]propanoic acid > 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-2-carboxyethyl]phenoxy]ethyl-methylamino]pyridin-2-yl]-methylamino]ethoxy]phenyl]propanoic acid > 3-[4-[2-[methyl-[6-[methyl-[2-[4-[3-oxidanyl-3-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]propyl]phenoxy]ethyl]amino]pyridin-2-yl]amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid > 2-(2-benzoylanilino)-3-[4-[2-[[6-[2-[4-[2-(2-benzoylanilino)-2-carboxy-ethyl]phenoxy]ethyl-methyl-amino]-2-pyridyl]-methyl-amino]ethoxy]phenyl]propionic acid > InChI=1S/C55H53N5O8/c1-59(32-34-67-42-28-24-38(25-29-42)36-48(54(63)64)56-46-20-11-9-18-44(46)52(61)40-14-5-3-6-15-40)50-22-13-23-51(58-50)60(2)33-35-68-43-30-26-39(27-31-43)37-49(55(65)66)57-47-21-12-10-19-45(47)53(62)41-16-7-4-8-17-41/h3-31,48-49,56-57H,32-37H2,1-2H3,(H,63,64)(H,65,66) > XAKJVRVBVCRZOA-UHFFFAOYSA-N > 12 > 911.38941367 > C55H53N5O8 > 912.0 > CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=NC(=CC=C4)N(C)CCOC5=CC=C(C=C5)CC(C(=O)O)NC6=CC=CC=C6C(=O)C7=CC=CC=C7 > CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=NC(=CC=C4)N(C)CCOC5=CC=C(C=C5)CC(C(=O)O)NC6=CC=CC=C6C(=O)C7=CC=CC=C7 > 171 > 911.38941367 > 0 > 68 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 40 8 13 41 8 14 16 3 15 17 3 18 22 8 18 23 8 19 24 8 19 25 8 20 32 8 20 42 8 21 33 8 21 43 8 22 36 8 23 37 8 24 38 8 25 39 8 30 36 8 30 37 8 31 38 8 31 39 8 32 44 8 33 45 8 40 48 8 41 49 8 42 52 8 43 53 8 44 55 8 45 56 8 48 54 8 49 54 8 52 55 8 53 56 8 57 59 8 57 60 8 58 61 8 58 62 8 59 63 8 60 64 8 61 65 8 62 66 8 63 67 8 64 67 8 65 68 8 66 68 8 $$$$