68679870 -OEChem-05062418172D 115119 0 1 0 0 0 0 0999 V2000 21.0526 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.7224 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -1.0000 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 25.3827 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.6506 -0.5000 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 19.3205 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -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 17.5885 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.5000 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 22.7846 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3816 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8345 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0745 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6104 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7347 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4947 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1759 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 30 1 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3104 1 0 0 0 0 4 33 1 0 0 0 0 4105 1 0 0 0 0 5 32 2 0 0 0 0 6 33 2 0 0 0 0 7 49 2 0 0 0 0 8 50 2 0 0 0 0 9 16 1 0 0 0 0 9 38 1 0 0 0 0 9 73 1 0 0 0 0 10 17 1 0 0 0 0 10 39 1 0 0 0 0 10 74 1 0 0 0 0 11 20 1 0 0 0 0 11 28 1 0 0 0 0 11 40 1 0 0 0 0 12 21 1 0 0 0 0 12 29 1 0 0 0 0 12 41 1 0 0 0 0 13 28 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 16 32 1 0 0 0 0 16 67 1 0 0 0 0 17 33 1 0 0 0 0 17 68 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 26 2 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 23 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 77 1 0 0 0 0 23 78 1 0 0 0 0 24 34 1 0 0 0 0 24 79 1 0 0 0 0 25 35 2 0 0 0 0 25 80 1 0 0 0 0 26 36 1 0 0 0 0 26 81 1 0 0 0 0 27 37 2 0 0 0 0 27 82 1 0 0 0 0 28 42 1 0 0 0 0 29 43 2 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 34 83 1 0 0 0 0 35 84 1 0 0 0 0 36 85 1 0 0 0 0 37 86 1 0 0 0 0 38 45 1 0 0 0 0 38 47 2 3 0 0 0 39 46 1 0 0 0 0 39 48 2 3 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 42 44 2 0 0 0 0 42 93 1 0 0 0 0 43 44 1 0 0 0 0 43 94 1 0 0 0 0 44 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47 49 1 0 0 0 0 47102 1 0 0 0 0 48 50 1 0 0 0 0 48103 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 2 0 0 0 0 51 54 1 0 0 0 0 52 55 2 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 53106 1 0 0 0 0 54 58 2 0 0 0 0 54107 1 0 0 0 0 55 59 1 0 0 0 0 55108 1 0 0 0 0 56 60 2 0 0 0 0 56109 1 0 0 0 0 57 61 2 0 0 0 0 57110 1 0 0 0 0 58 61 1 0 0 0 0 58111 1 0 0 0 0 59 62 2 0 0 0 0 59112 1 0 0 0 0 60 62 1 0 0 0 0 60113 1 0 0 0 0 61114 1 0 0 0 0 62115 1 0 0 0 0 M END > 68679870 > 1 > 1360 > 13 > 4 > 24 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGCAAAAAAAB1AAAHgAQCAAADCzhmgYzvpPIFgCoAqbybACCiCklIiAJmKG+bNiOJvLEvbuHeSjs0BPY6eeYyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 3-[4-[2-[[6-[2-[4-[2-carboxy-2-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]ethyl]phenoxy]ethyl-methyl-amino]-2-pyridyl]-methyl-amino]ethoxy]phenyl]-2-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]propanoic acid > 3-[4-[2-[[6-[2-[4-[2-carboxy-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]ethyl]phenoxy]ethyl-methylamino]-2-pyridinyl]-methylamino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoic acid > 3-[4-[2-[[6-[2-[4-[2-carboxy-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]ethyl]phenoxy]ethyl-methylamino]pyridin-2-yl]-methylamino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoic acid > 3-[4-[2-[[6-[2-[4-[2-carboxy-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]ethyl]phenoxy]ethyl-methylamino]pyridin-2-yl]-methylamino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoic acid > 3-[4-[2-[methyl-[6-[methyl-[2-[4-[3-oxidanyl-3-oxidanylidene-2-[(4-oxidanylidene-4-phenyl-but-2-en-2-yl)amino]propyl]phenoxy]ethyl]amino]pyridin-2-yl]amino]ethoxy]phenyl]-2-[(4-oxidanylidene-4-phenyl-but-2-en-2-yl)amino]propanoic acid > 3-[4-[2-[[6-[2-[4-[2-carboxy-2-[(3-keto-1-methyl-3-phenyl-prop-1-enyl)amino]ethyl]phenoxy]ethyl-methyl-amino]-2-pyridyl]-methyl-amino]ethoxy]phenyl]-2-[(3-keto-1-methyl-3-phenyl-prop-1-enyl)amino]propionic acid > InChI=1S/C49H53N5O8/c1-34(30-44(55)38-12-7-5-8-13-38)50-42(48(57)58)32-36-18-22-40(23-19-36)61-28-26-53(3)46-16-11-17-47(52-46)54(4)27-29-62-41-24-20-37(21-25-41)33-43(49(59)60)51-35(2)31-45(56)39-14-9-6-10-15-39/h5-25,30-31,42-43,50-51H,26-29,32-33H2,1-4H3,(H,57,58)(H,59,60) > GUJBSPWWBBPSEP-UHFFFAOYSA-N > 9.9 > 839.38941367 > C49H53N5O8 > 840.0 > CC(=CC(=O)C1=CC=CC=C1)NC(CC2=CC=C(C=C2)OCCN(C)C3=NC(=CC=C3)N(C)CCOC4=CC=C(C=C4)CC(C(=O)O)NC(=CC(=O)C5=CC=CC=C5)C)C(=O)O > CC(=CC(=O)C1=CC=CC=C1)NC(CC2=CC=C(C=C2)OCCN(C)C3=NC(=CC=C3)N(C)CCOC4=CC=C(C=C4)CC(C(=O)O)NC(=CC(=O)C5=CC=CC=C5)C)C(=O)O > 171 > 839.38941367 > 0 > 62 > 0 > 2 > 0 > 2 > 0 > 1 > -1 > 1 5 255 > 13 28 8 13 29 8 16 14 3 17 15 3 18 24 8 18 25 8 19 26 8 19 27 8 24 34 8 25 35 8 26 36 8 27 37 8 28 42 8 29 43 8 30 34 8 30 35 8 31 36 8 31 37 8 38 47 1 39 48 1 42 44 8 43 44 8 51 53 8 51 54 8 52 55 8 52 56 8 53 57 8 54 58 8 55 59 8 56 60 8 57 61 8 58 61 8 59 62 8 60 62 8 $$$$