3742 -OEChem-10051722083D 64 65 0 0 0 0 0 0 0999 V2000 -4.4978 2.7657 2.0059 I 0 0 0 0 0 0 0 0 0 0 0 0 -7.6282 -1.4936 -1.0461 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5256 -1.6748 -0.9492 I 0 0 0 0 0 0 0 0 0 0 0 0 3.8711 2.8437 -1.2503 I 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -1.3721 2.4840 I 0 0 0 0 0 0 0 0 0 0 0 0 7.0905 -2.1614 0.1160 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 0.5973 1.9255 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 1.4535 -1.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 -2.3931 -2.8536 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6769 2.6106 0.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3372 0.3914 -2.4033 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -3.7641 1.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9923 0.9512 0.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8533 -2.8674 2.9576 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9494 1.0864 0.7605 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4576 1.8986 0.0082 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8246 1.3079 0.7145 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2595 1.5053 -0.5907 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6179 -3.7114 -0.9467 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7461 0.4735 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 0.4018 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5283 1.0113 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 -1.2834 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7671 -0.6739 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -0.7455 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 0.5325 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 0.9663 0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2058 0.2207 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 2.5262 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0465 0.9850 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 -0.6843 1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2737 -1.4486 1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3194 -0.9960 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 1.7037 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6446 0.5804 1.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5932 -2.4886 -1.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5822 2.1105 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 0.6951 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3868 2.0702 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8451 2.6372 -1.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3927 -2.7256 1.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5896 1.1454 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6186 -4.9875 -1.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 3.5076 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0846 2.6774 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9246 2.1397 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 1.2454 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6532 0.2598 1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0899 -0.2463 2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7305 1.4084 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1677 1.7120 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6191 3.0182 -0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0992 2.2760 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 3.1931 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4995 3.3146 -1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5614 1.8222 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6559 -3.7145 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3545 0.1696 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4254 1.5881 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6558 -5.3060 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -5.7104 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 -4.9062 -2.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0099 -4.6182 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7645 0.3603 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 6 33 1 0 0 0 0 7 27 2 0 0 0 0 8 34 2 0 0 0 0 9 36 2 0 0 0 0 10 37 2 0 0 0 0 11 38 2 0 0 0 0 12 41 1 0 0 0 0 12 63 1 0 0 0 0 13 42 1 0 0 0 0 13 64 1 0 0 0 0 14 41 2 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 15 37 1 0 0 0 0 16 27 1 0 0 0 0 16 29 1 0 0 0 0 16 46 1 0 0 0 0 17 26 1 0 0 0 0 17 34 1 0 0 0 0 17 47 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 51 1 0 0 0 0 19 36 1 0 0 0 0 19 43 1 0 0 0 0 19 57 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 28 30 1 0 0 0 0 28 33 2 0 0 0 0 28 38 1 0 0 0 0 29 34 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 41 1 0 0 0 0 35 48 1 0 0 0 0 35 49 1 0 0 0 0 35 50 1 0 0 0 0 37 40 1 0 0 0 0 39 42 1 0 0 0 0 39 52 1 0 0 0 0 39 53 1 0 0 0 0 40 54 1 0 0 0 0 40 55 1 0 0 0 0 40 56 1 0 0 0 0 42 58 1 0 0 0 0 42 59 1 0 0 0 0 43 60 1 0 0 0 0 43 61 1 0 0 0 0 43 62 1 0 0 0 0 M END > DB09313 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TYYBFXNZMFNZJT-UHFFFAOYSA-N/SDF?record_type=3d > CNC(=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C2I)=C(I)C(N(C)C(C)=O)=C1I > InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43) > TYYBFXNZMFNZJT-UHFFFAOYSA-N > C24H21I6N5O8 > 1268.886 > 1268.56583 > 8 > 64 > 82.93509389555392 > 0 > 6 > 0 > 0 > 3-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodo-5-(2-{[2,4,6-triiodo-3-(methylcarbamoyl)-5-(N-methylacetamido)phenyl]formamido}acetamido)benzoic acid > 0.58 > 3.7514043039999985 > -4.92 > 0 > 2 > -1 > 11.298166471857181 > 2.131862280153717 > -1.6662596357359174 > 194.24 > 214.0476 > 10 > 0 > 1.52e-02 g/l > ioxaglate > 0 $$$$