445795 -OEChem-11151917233D 59 61 0 1 0 0 0 0 0999 V2000 -2.1038 -2.6907 -1.1068 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.2114 -1.4147 1.3019 P 0 0 1 0 0 0 0 0 0 0 0 0 -2.2601 1.6231 2.7962 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7894 -1.9574 -1.1867 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3322 1.0057 -0.6309 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -4.1222 0.8834 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5865 -1.8511 2.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 -3.2751 -1.2896 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 0.0813 0.7214 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 3.8546 -0.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 4.2394 1.7052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 -2.3036 0.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 1.0636 -3.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 0.3257 1.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 -4.0031 -1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 -1.3562 2.7794 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 -1.5772 -2.0376 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6181 -1.9381 1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3135 4.0919 -0.6317 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2171 0.0638 -0.0927 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1187 2.2000 0.4298 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 -3.1400 0.5400 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0905 -1.7828 1.0708 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7398 -2.9250 -0.9661 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1517 -1.3607 0.0693 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1758 3.2958 -0.4907 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6123 3.0381 0.9531 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1622 1.9809 -1.2816 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7565 1.9394 1.5723 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4482 -2.3644 -1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 0.6883 0.6988 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6237 2.1599 -2.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 0.8192 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 0.6988 -0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 2.0160 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 2.8770 -0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 -3.4801 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2354 -1.0970 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 -3.8478 -1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -1.7430 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8358 4.0329 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6684 2.7464 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 1.5757 -1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 2.3022 1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 -2.2154 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 -1.3953 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -0.0137 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 3.0708 -3.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 2.1877 -2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 -4.9669 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 -2.2301 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6854 0.0879 -1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 3.1585 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 4.9155 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7744 2.7626 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 2.4784 -1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 1.1993 -4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -4.7544 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6663 -2.1245 3.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 1 17 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 2 18 2 0 0 0 0 3 29 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 28 1 0 0 0 0 5 31 1 0 0 0 0 6 22 1 0 0 0 0 6 50 1 0 0 0 0 7 23 1 0 0 0 0 7 51 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 26 1 0 0 0 0 10 53 1 0 0 0 0 11 27 1 0 0 0 0 11 54 1 0 0 0 0 13 32 1 0 0 0 0 13 57 1 0 0 0 0 14 33 2 0 0 0 0 15 58 1 0 0 0 0 16 59 1 0 0 0 0 19 36 2 0 0 0 0 20 25 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 33 1 0 0 0 0 21 36 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 30 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 28 32 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 34 35 2 0 0 0 0 34 52 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 M END > DB02976 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NGTCPFGWXMBZEP-KBQKSTHMSA-N/SDF?record_type=3d > [H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@]3([H])F)[C@@H](O)[C@H]2O)C1=O > InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1 > NGTCPFGWXMBZEP-KBQKSTHMSA-N > C15H23FN2O16P2 > 568.2928 > 568.050683927 > 13 > 59 > 45.384758539851056 > 0 > 8 > 0 > 0 > {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid > -0.94 > -4.105516304666667 > -1.42 > 1 > 3 > -2 > 3.175445804691095 > 1.731159496884539 > -2.981111056554834 > 271.30999999999995 > 104.76369999999996 > 9 > 0 > 2.17e+01 g/l > [(2R)-2-(4-aminobutanamido)-3-{[(4-methoxyphenyl)methyl]sulfanyl}propanamido]acetic acid > 0 $$$$