50919376 -OEChem-05062403202D 65 68 0 1 0 0 0 0 0999 V2000 7.1933 -4.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8258 -0.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -3.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -0.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 2.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4245 -1.5990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 1.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 0.1235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0068 -2.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5946 -3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -2.4081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5891 -3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 -4.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 2.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2435 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6056 -3.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 3.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 4.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8774 3.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6472 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5034 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 4.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8774 4.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5034 4.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4095 3.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4095 4.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -1.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5641 -2.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8359 -1.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9780 -3.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3957 -2.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6539 -3.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2057 -2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5243 -2.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6215 -3.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 -4.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7543 -4.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 -1.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 1.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 2.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 2.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 5.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 4.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 5.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9452 2.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 -0.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 1.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9452 4.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9412 -4.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 0.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4177 -1.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8158 -2.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -1.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 3.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5122 3.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4663 2.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 58 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 35 1 0 0 0 0 5 25 1 0 0 0 0 5 36 1 0 0 0 0 11 6 1 1 0 0 0 6 17 1 0 0 0 0 6 47 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 14 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 11 18 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 21 1 0 0 0 0 15 20 1 0 0 0 0 15 23 2 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 26 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 27 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 23 49 1 0 0 0 0 24 31 1 0 0 0 0 25 32 2 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 33 1 0 0 0 0 29 53 1 0 0 0 0 30 33 2 0 0 0 0 30 54 1 0 0 0 0 31 34 2 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 M END > 50919376 > 1 > 737 > 6 > 2 > 9 > AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAADB1AAAHgAQCAAADSzBnwY/3tfMFgCoAzf3fACCiC03MqAJ2KG+fNiOb3rE+buUcKhv1hfY6OeY4KwOgAAASAAaAAAAAACQADQAAAAAAAAAAA== > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-(1-naphthyl)imidazole-4-carbonyl]amino]-4-methyl-pentanoic acid > (2S)-2-[[[2-(2,6-dimethoxyphenyl)-1-(1-naphthalenyl)-4-imidazolyl]-oxomethyl]amino]-4-methylpentanoic acid > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-naphthalen-1-yl-imidazol-4-yl]carbonylamino]-4-methyl-pentanoic acid > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-(1-naphthyl)imidazole-4-carbonyl]amino]-4-methyl-valeric acid > InChI=1S/C28H29N3O5/c1-17(2)15-20(28(33)34)30-27(32)21-16-31(22-12-7-10-18-9-5-6-11-19(18)22)26(29-21)25-23(35-3)13-8-14-24(25)36-4/h5-14,16-17,20H,15H2,1-4H3,(H,30,32)(H,33,34)/t20-/m0/s1 > NPGYKQZRLMPJJJ-FQEVSTJZSA-N > 5.5 > 487.21072103 > C28H29N3O5 > 487.5 > CC(C)CC(C(=O)O)NC(=O)C1=CN(C(=N1)C2=C(C=CC=C2OC)OC)C3=CC=CC4=CC=CC=C43 > CC(C)C[C@@H](C(=O)O)NC(=O)C1=CN(C(=N1)C2=C(C=CC=C2OC)OC)C3=CC=CC4=CC=CC=C43 > 103 > 487.21072103 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 20 8 15 23 8 16 19 8 20 22 8 20 26 8 21 24 8 21 25 8 22 27 8 22 29 8 23 28 8 24 31 8 25 32 8 26 30 8 27 28 8 29 33 8 30 33 8 31 34 8 32 34 8 11 6 5 7 14 8 7 19 8 8 14 8 8 16 8 $$$$