93036 -OEChem-11151913593D 33 34 0 1 0 0 0 0 0999 V2000 0.8195 -3.4458 -0.3664 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5509 -1.4849 0.1677 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4242 1.3598 1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8816 4.1755 -0.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7481 -0.1572 0.6278 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6337 1.7454 0.3856 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5505 -2.1923 -0.8876 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7233 -0.8890 -0.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0234 -2.3615 1.2905 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 -2.8040 -0.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 0.5756 0.1977 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -0.5256 0.0765 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 2.8906 -0.7024 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5526 1.8892 0.2955 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3928 2.3470 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7866 1.7315 0.3442 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2682 0.7237 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 0.6822 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0157 -0.6616 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 -1.8119 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 -1.7867 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6051 3.0011 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 2.3622 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 1.5838 -1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 3.1043 -1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 2.4775 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 0.1828 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 1.1069 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4642 4.7702 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -0.6909 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7334 -0.4722 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 -3.0668 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4153 -1.4964 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 6 18 2 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 10 21 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 M END > DB01903 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LHLHVDBXXZVYJT-RRKCRQDMSA-N/SDF?record_type=3d > O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(Br)C(=O)NC1=O > InChI=1S/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 > LHLHVDBXXZVYJT-RRKCRQDMSA-N > C9H12BrN2O8P > 387.078 > 385.951464529 > 7 > 33 > 28.838589985102033 > 1 > 4 > 0 > 0 > {[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid > -0.8126765109999997 > 0 > 2 > -2 > 6.255726097010203 > 1.232757457012042 > -3.2403443486600287 > 145.63 > 69.53710000000001 > 4 > 1 > 4-[(2S)-2-{[(3S)-1-{[1,1'-biphenyl]-4-ylmethyl}-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenoxyacetic acid > 0 $$$$