70229850 -OEChem-03292406332D 79 80 0 1 0 0 0 0 0999 V2000 9.6730 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 12.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 11.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 3.6200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8070 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.1925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 10.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6730 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 14.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 14.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 14.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 16.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4609 10.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0624 9.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0190 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1964 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9611 10.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5811 11.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 4.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7649 3.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 14.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 14.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 16.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 9.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 9.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 9.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 9.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 7.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 7.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 8.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 8.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 7.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 59 1 0 0 0 0 3 14 2 0 0 0 0 4 25 2 0 0 0 0 9 5 1 1 0 0 0 5 16 1 0 0 0 0 5 43 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 23 1 0 0 0 0 7 31 2 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 73 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 12 44 1 0 0 0 0 13 18 2 0 0 0 0 13 45 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 16 22 2 3 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 25 1 0 0 0 0 22 55 1 0 0 0 0 23 26 2 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 32 2 0 0 0 0 28 61 1 0 0 0 0 29 33 1 0 0 0 0 29 62 1 0 0 0 0 30 34 2 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 33 35 2 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 36 38 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 M END > 70229850 > 1 > 680 > 8 > 3 > 14 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAQCAAADCzhmgY/vpPIFgCoArb3bACCiCk1IiAJ2KG+bNiOJvLEvbuHeSjs0BPY6eeYyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > N-ethylethanamine;(2R)-2-[(1-methyl-3-oxo-3-phenyl-prop-1-enyl)amino]-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propanoic acid > N-ethylethanamine;(2R)-3-[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoic acid > N-ethylethanamine;(2R)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoic acid > N-ethylethanamine;(2R)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoic acid > N-ethylethanamine;(2R)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[(4-oxidanylidene-4-phenyl-but-2-en-2-yl)amino]propanoic acid > diethylamine;(2R)-2-[(3-keto-1-methyl-3-phenyl-prop-1-enyl)amino]-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propionic acid > InChI=1S/C27H29N3O4.C4H11N/c1-20(18-25(31)22-8-4-3-5-9-22)29-24(27(32)33)19-21-11-13-23(14-12-21)34-17-16-30(2)26-10-6-7-15-28-26;1-3-5-4-2/h3-15,18,24,29H,16-17,19H2,1-2H3,(H,32,33);5H,3-4H2,1-2H3/t24-;/m1./s1 > IPHTZOSHNVGORH-GJFSDDNBSA-N > 532.30495577 > C31H40N4O4 > 532.7 > CCNCC.CC(=CC(=O)C1=CC=CC=C1)NC(CC2=CC=C(C=C2)OCCN(C)C3=CC=CC=N3)C(=O)O > CCNCC.CC(=CC(=O)C1=CC=CC=C1)N[C@H](CC2=CC=C(C=C2)OCCN(C)C3=CC=CC=N3)C(=O)O > 104 > 532.30495577 > 0 > 39 > 1 > 0 > 0 > 1 > 0 > 2 > -1 > 1 5 255 > 11 12 8 11 13 8 12 17 8 13 18 8 15 17 8 15 18 8 16 22 1 23 26 8 26 28 8 27 29 8 27 30 8 28 32 8 29 33 8 30 34 8 31 32 8 33 35 8 34 35 8 9 5 5 7 23 8 7 31 8 $$$$