49837922 -OEChem-05122401162D 62 64 0 1 0 0 0 0 0999 V2000 8.1715 4.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5892 3.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8039 0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4536 -2.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 -3.1797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4026 1.5817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9126 -1.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 -1.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5727 3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 2.3907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5673 2.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1660 4.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 3.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8094 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 -0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7216 -1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7216 -2.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -3.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8556 -3.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 -1.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -1.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -4.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8556 -4.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7216 -4.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 -3.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 -4.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 3.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8140 1.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 2.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3738 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5024 2.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1839 2.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6321 3.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7324 4.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9138 4.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 3.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 1.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8572 0.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 0.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4569 -2.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9193 4.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 0.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8723 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1246 -4.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3186 -4.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7216 -5.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -0.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0097 -3.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 -3.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6297 -2.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8186 -3.7356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 -4.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 -4.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 48 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 21 1 0 0 0 0 4 32 1 0 0 0 0 5 22 1 0 0 0 0 5 33 1 0 0 0 0 11 6 1 6 0 0 0 6 15 1 0 0 0 0 6 44 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 16 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 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 15 16 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 28 1 0 0 0 0 22 29 2 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 24 27 2 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > 49837922 > 1 > 640 > 6 > 2 > 9 > AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAQCAAADSzBnwY/3pfMFgCoAzf3fACCiC03MqAJ2KG+fNiOb3rE+buUcKhv1hfY6OeY4CwOCAAACAAIAAAQAAAQABAAAAAAAAAAAA== > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-(p-tolyl)imidazole-4-carbonyl]amino]-4-methyl-pentanoic acid > (2S)-2-[[[2-(2,6-dimethoxyphenyl)-1-(4-methylphenyl)-4-imidazolyl]-oxomethyl]amino]-4-methylpentanoic acid > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-(4-methylphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-(4-methylphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]carbonylamino]-4-methyl-pentanoic acid > (2S)-2-[[2-(2,6-dimethoxyphenyl)-1-(p-tolyl)imidazole-4-carbonyl]amino]-4-methyl-valeric acid > InChI=1S/C25H29N3O5/c1-15(2)13-18(25(30)31)27-24(29)19-14-28(17-11-9-16(3)10-12-17)23(26-19)22-20(32-4)7-6-8-21(22)33-5/h6-12,14-15,18H,13H2,1-5H3,(H,27,29)(H,30,31)/t18-/m0/s1 > JQUZETBZKCBLIE-SFHVURJKSA-N > 4.6 > 451.21072103 > C25H29N3O5 > 451.5 > CC1=CC=C(C=C1)N2C=C(N=C2C3=C(C=CC=C3OC)OC)C(=O)NC(CC(C)C)C(=O)O > CC1=CC=C(C=C1)N2C=C(N=C2C3=C(C=CC=C3OC)OC)C(=O)N[C@@H](CC(C)C)C(=O)O > 103 > 451.21072103 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 18 8 19 21 8 19 22 8 20 23 8 20 24 8 21 28 8 22 29 8 23 26 8 24 27 8 25 26 8 25 27 8 28 30 8 29 30 8 11 6 6 7 17 8 7 18 8 8 16 8 8 17 8 $$$$