5280352 -OEChem-08130916302D 79 82 0 0 0 0 0 0 0999 V2000 3.0786 -2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5004 3.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 -3.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0992 2.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 2.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7546 -4.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9638 0.8553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -1.0872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 1.9614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6614 -2.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6025 -0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8593 -0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5535 -0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 0.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 0.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1715 -0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4744 -1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2747 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3866 0.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4503 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 -1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6815 2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1226 -0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 2.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3305 -1.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 3.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2441 -2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 -2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0937 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1395 -3.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 2.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1614 -3.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 4.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1101 -1.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8827 -3.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 4.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9761 -2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1139 -1.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8935 -1.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5008 1.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -1.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 -1.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -1.4107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7607 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8441 0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4515 1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 0.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 0.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 0.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8147 1.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9487 1.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5232 -0.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 -1.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1955 1.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1122 2.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5834 -0.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0448 -2.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 3.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 4.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6685 4.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1101 -1.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4678 -4.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3434 -4.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2975 -3.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 4.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 -2.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1170 3.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9761 -2.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5130 -1.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 4.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 3.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 74 1 0 0 0 0 2 33 1 0 0 0 0 2 75 1 0 0 0 0 3 32 2 0 0 0 0 4 33 2 0 0 0 0 5 36 2 0 0 0 0 6 37 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 46 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 47 1 0 0 0 0 9 28 1 0 0 0 0 9 36 1 0 0 0 0 9 64 1 0 0 0 0 10 29 1 0 0 0 0 10 37 1 0 0 0 0 10 65 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 32 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 33 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 28 2 0 0 0 0 26 62 1 0 0 0 0 27 29 2 0 0 0 0 27 63 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 35 2 0 0 0 0 30 38 1 0 0 0 0 31 34 2 0 0 0 0 31 39 1 0 0 0 0 34 37 1 0 0 0 0 34 40 1 0 0 0 0 35 36 1 0 0 0 0 35 41 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 42 2 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 41 43 2 0 0 0 0 41 73 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 M END > 5280352 > 1 > 1340 > 6 > 6 > 12 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWLECAAAAAAAAAAAAAAB4AAAHgAQCAAADAiBngACiJLJkgCoAyXyXACCgCAhAiAImSEwRNgIIHLA0JGEYAhklADIyQeY2fOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid > 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-3-yl]propanoic acid > 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid > 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid > 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid > InChI=1S/C33H36N4O6/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/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14- > BPYKTIZUTYGOLE-IFADSCNNSA-N > 2.9 > 584.263485 > C33H36N4O6 > 584.66214 > CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C=C)C > CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C\4/C(=C(C(=O)N4)C=C)C > 164 > 584.263485 > 0 > 43 > 0 > 0 > 2 > 0 > 0 > 1 > 25 > 1 5 255 > 12 14 8 13 15 8 14 16 8 15 17 8 16 18 8 17 19 8 7 12 8 7 18 8 8 13 8 8 19 8 $$$$