15954308 -OEChem-04262405262D 75 79 0 1 0 0 0 0 0999 V2000 3.6200 4.3260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 10.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 8.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9502 11.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7926 9.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7926 14.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9304 0.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 3.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 12.3328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 12.9206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 13.8717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3913 15.5942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5288 0.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 2.6289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.7279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.5940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 9.7940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9012 10.7451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2102 9.7940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7102 11.3328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7980 8.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 12.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 13.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 14.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 2.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 1.7279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5288 2.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 3.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2046 2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2046 0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1106 2.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1106 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7069 4.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0183 4.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 2.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9294 5.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2408 5.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1964 5.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 3.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 3.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 5.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 4.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 5.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 9.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 11.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8226 9.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2627 11.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2408 8.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 8.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8746 8.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 10.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 12.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1570 8.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7557 16.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7747 15.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 2.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6668 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 3.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 0.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6464 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6464 0.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1614 3.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 4.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 5.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7863 5.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3343 6.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 2.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 5.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 5.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 17 3 1 1 0 0 0 3 53 1 0 0 0 0 18 4 1 1 0 0 0 4 54 1 0 0 0 0 5 21 1 0 0 0 0 5 56 1 0 0 0 0 6 24 2 0 0 0 0 7 29 2 0 0 0 0 8 37 2 0 0 0 0 9 10 1 0 0 0 0 20 9 1 6 0 0 0 9 22 1 0 0 0 0 10 23 2 0 0 0 0 11 22 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 60 1 0 0 0 0 14 26 1 0 0 0 0 14 27 2 0 0 0 0 26 15 1 1 0 0 0 15 37 1 0 0 0 0 15 63 1 0 0 0 0 16 37 1 0 0 0 0 16 41 1 0 0 0 0 16 71 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 6 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 31 2 0 0 0 0 26 29 1 0 0 0 0 26 59 1 0 0 0 0 27 30 1 0 0 0 0 28 32 2 0 0 0 0 30 35 2 0 0 0 0 30 36 1 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 38 1 0 0 0 0 35 66 1 0 0 0 0 36 39 2 0 0 0 0 36 67 1 0 0 0 0 38 40 2 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 2 0 0 0 0 43 45 1 0 0 0 0 43 72 1 0 0 0 0 44 46 1 0 0 0 0 44 73 1 0 0 0 0 45 46 2 0 0 0 0 45 74 1 0 0 0 0 46 75 1 0 0 0 0 M END > 15954308 > 1 > 938 > 11 > 7 > 6 > AAADceB7+QAAAAAAAAAAAAAAAAAAAWJAAAAwYMAABAAAAAAB1AAAHwAYCAAADBzhmw410IbIFgCqAydzdACSgAszgqAdyICoZJiLeKLAmbGeYAhvnwLbyCfwsMIOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide;1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide;1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea > 1-(2-fluorophenyl)-3-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea;1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide;1-(2-fluorophenyl)-3-[(3S)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea > InChI=1S/C22H17FN4O2.C8H12N4O5/c23-16-11-5-7-13-18(16)25-22(29)27-20-21(28)24-17-12-6-4-10-15(17)19(26-20)14-8-2-1-3-9-14;9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h1-13,20H,(H,24,28)(H2,25,27,29);2-5,8,13-15H,1H2,(H2,9,16)/t20-;3-,4-,5-,8-/m11/s1 > QVYLKMYDMUQURB-MUMGRAMMSA-N > 632.21432346 > C30H29FN8O7 > 632.6 > C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F.C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N > C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F.C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N > 226 > 632.21432346 > 0 > 46 > 5 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 23 8 11 22 8 11 23 8 26 15 5 19 21 6 25 28 8 25 31 8 28 32 8 17 3 5 30 35 8 30 36 8 31 33 8 32 34 8 33 34 8 35 38 8 36 39 8 38 40 8 39 40 8 18 4 5 41 42 8 41 43 8 42 44 8 43 45 8 44 46 8 45 46 8 9 10 8 20 9 6 9 22 8 $$$$