46111871 -OEChem-05122420522D 72 74 0 0 0 0 0 0 0999 V2000 8.0622 -1.9694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -2.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5148 -6.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 -1.5627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8988 -2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8769 -3.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2836 -4.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6959 -4.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2782 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1026 -5.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6849 -5.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0971 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9215 -7.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -0.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 0.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 2.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 3.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 4.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 -3.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 -4.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6426 -3.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3015 -5.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3493 -6.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 6.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 8.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 6.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3551 -7.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1737 -8.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4879 -7.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 4 35 1 0 0 0 0 5 29 1 0 0 0 0 5 36 1 0 0 0 0 6 32 1 0 0 0 0 6 37 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 53 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 17 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 57 1 0 0 0 0 25 28 2 0 0 0 0 25 58 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 M END > 46111871 > 1 > 707 > 7 > 1 > 13 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAUAAAADQzBngYyhpPQBACpA6VyUgCCCAAmIgAomKG+7NoNZjqE9ZuUMapm1hmK6cf/2LKOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-propyl]-N-isobutyl-5-(3-methoxyphenyl)isoxazole-3-carboxamide > N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-3-isoxazolecarboxamide > N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide > N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide > N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide > N-[3-(homoveratrylamino)-3-keto-propyl]-N-isobutyl-5-(3-methoxyphenyl)isoxazole-3-carboxamide > InChI=1S/C28H35N3O6/c1-19(2)18-31(28(33)23-17-25(37-30-23)21-7-6-8-22(16-21)34-3)14-12-27(32)29-13-11-20-9-10-24(35-4)26(15-20)36-5/h6-10,15-17,19H,11-14,18H2,1-5H3,(H,29,32) > CAZNREXTSOYMOG-UHFFFAOYSA-N > 4.3 > 509.25258584 > C28H35N3O6 > 509.6 > CC(C)CN(CCC(=O)NCCC1=CC(=C(C=C1)OC)OC)C(=O)C2=NOC(=C2)C3=CC(=CC=C3)OC > CC(C)CN(CCC(=O)NCCC1=CC(=C(C=C1)OC)OC)C(=O)C2=NOC(=C2)C3=CC(=CC=C3)OC > 103 > 509.25258584 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 22 8 21 24 8 21 25 8 22 23 8 24 27 8 25 28 8 26 30 8 26 31 8 27 29 8 28 29 8 3 23 8 3 9 8 30 32 8 31 33 8 32 34 8 33 34 8 9 18 8 $$$$