6433298 -OEChem-05062404002D 85 88 0 1 0 0 0 0 0999 V2000 3.4557 4.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2159 -4.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8380 5.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2392 4.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3215 -0.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4555 1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 2.7346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9759 0.7922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9558 -3.2389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2747 -0.6503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 1.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2158 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1669 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9558 -3.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4759 2.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 2.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 -2.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7849 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7747 -1.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8574 -0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7529 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9439 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 3.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0637 3.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4558 -4.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8881 3.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2648 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7234 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4558 -5.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6957 -4.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6569 4.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4960 -1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5895 -0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3218 -6.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2447 4.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4555 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 1.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7272 0.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 0.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2373 -2.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 -2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9373 -2.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 3.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9759 0.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 0.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 0.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 2.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5777 3.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1967 1.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3202 -2.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3897 3.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5237 3.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3865 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1220 0.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3249 0.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 3.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8452 -5.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2437 -6.3604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5041 -3.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1061 -4.6906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8873 -5.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2262 4.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1429 3.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0285 1.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 0.4493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1581 -0.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 -2.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9568 -2.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9109 -1.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1909 -0.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9880 -0.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0118 -6.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8588 -6.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6318 -5.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2024 6.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8585 -0.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 32 2 0 0 0 0 3 42 1 0 0 0 0 3 84 1 0 0 0 0 4 42 2 0 0 0 0 5 43 1 0 0 0 0 5 85 1 0 0 0 0 6 43 2 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 7 50 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 51 1 0 0 0 0 9 15 1 0 0 0 0 9 32 1 0 0 0 0 9 57 1 0 0 0 0 10 21 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 1 0 0 0 11 14 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 16 2 0 0 0 0 14 20 2 0 0 0 0 14 23 1 0 0 0 0 15 18 1 6 0 0 0 15 22 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 30 1 0 0 0 0 20 27 1 0 0 0 0 20 34 1 0 0 0 0 21 25 1 0 0 0 0 22 29 2 0 0 0 0 22 36 1 0 0 0 0 23 38 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 33 1 0 0 0 0 25 39 1 0 0 0 0 26 30 2 0 0 0 0 28 37 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 35 1 0 0 0 0 30 56 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 33 40 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 41 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 42 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 43 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 M END > 6433298 > 1 > 1350 > 7 > 5 > 13 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWIECAAAAAAAAAAAAAABgAAAHgAQCAAADCjBngQCiJLJkgCoAyXyXACCgCAhAiAAmaE4RNgIIHLA0JGEQAhklgDIyQeY2fOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylene]-5-[[(2S)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoic acid > 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2S)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-3-pyrrolyl]propanoic acid > 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2S)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid > 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2S)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid > 3-[(2Z)-5-[[(2S)-4-ethyl-3-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[[5-[[(2S)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-pyrrol-3-yl]propanoic acid > 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-5-keto-4-methyl-3-pyrrolin-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylene]-5-[[(2S)-4-ethyl-5-keto-3-methyl-3-pyrrolin-2-yl]methyl]-4-methyl-pyrrol-3-yl]propionic acid > InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m0/s1 > KDCCOOGTVSRCHX-UYMYUHGCSA-N > 1.6 > 590.31043507 > C33H42N4O6 > 590.7 > CCC1=C(C(=O)NC1CC2=C(C(=C(N2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C > CCC1=C(C(=O)N[C@H]1CC2=C(C(=C(N2)/C=C\3/C(=C(C(=N3)C[C@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C > 161 > 590.31043507 > 0 > 43 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 5 13 16 8 15 18 6 16 17 8 17 19 8 8 13 8 8 19 8 $$$$