52856310 -OEChem-05112405552D 66 68 0 1 0 0 0 0 0999 V2000 8.9852 -3.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2148 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 2.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -4.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 -3.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -4.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8820 -5.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4753 -6.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8765 -5.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0631 -7.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4643 -6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0576 -7.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -1.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -2.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -1.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 2.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 4.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1929 -3.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8587 -6.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1287 -4.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8109 -7.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0809 -6.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4220 -7.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 6.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 7.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 12 2 0 0 0 0 3 24 1 0 0 0 0 3 32 1 0 0 0 0 4 26 1 0 0 0 0 4 33 1 0 0 0 0 8 5 1 1 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 49 1 0 0 0 0 7 20 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 53 1 0 0 0 0 22 25 2 0 0 0 0 22 54 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 27 29 1 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END > 52856310 > 1 > 572 > 6 > 1 > 12 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAUAAAADCzBngYyhpPQBACpA6VyUgCCCAAkIgAomKG+7NoNZrqEsbuUMaJm1hmK6Ue82PKOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[3-(3-phenylisoxazol-5-yl)propyl]amino]propanamide > (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[3-(3-phenyl-5-isoxazolyl)propyl]amino]propanamide > (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]propanamide > (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]propanamide > (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]propanamide > (2R)-N-homoveratryl-2-[methyl-[3-(3-phenylisoxazol-5-yl)propyl]amino]propionamide > InChI=1S/C26H33N3O4/c1-19(26(30)27-15-14-20-12-13-24(31-3)25(17-20)32-4)29(2)16-8-11-22-18-23(28-33-22)21-9-6-5-7-10-21/h5-7,9-10,12-13,17-19H,8,11,14-16H2,1-4H3,(H,27,30)/t19-/m1/s1 > RBYSBIVZMKUKTB-LJQANCHMSA-N > 4.4 > 451.24710654 > C26H33N3O4 > 451.6 > CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N(C)CCCC2=CC(=NO2)C3=CC=CC=C3 > C[C@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)N(C)CCCC2=CC(=NO2)C3=CC=CC=C3 > 76.8 > 451.24710654 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 16 8 1 7 8 16 19 8 18 21 8 18 22 8 19 20 8 21 24 8 22 25 8 23 27 8 23 28 8 24 26 8 25 26 8 27 29 8 28 30 8 29 31 8 30 31 8 8 5 5 7 20 8 $$$$