Mrv0541 03041516172D 36 38 0 0 0 0 999 V2000 -4.5881 0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8736 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 0.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 0.6932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0156 0.2807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8736 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 -0.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 1.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2808 0.3380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5366 -0.4687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3829 -0.4746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6501 0.3285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9689 0.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 0.6932 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 -0.6832 1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 1.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 1.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 2.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 3.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 3.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 3.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 2.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8547 0.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -1.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1911 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1714 -1.2006 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8813 1.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1599 1.8242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4453 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 1.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 1.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4365 0.5780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 15 24 1 6 0 0 0 24 25 1 0 0 0 0 10 25 1 1 0 0 0 11 26 1 6 0 0 0 12 27 1 1 0 0 0 12 28 1 6 0 0 0 36 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 36 33 1 0 0 0 0 31 34 2 0 0 0 0 33 35 2 0 0 0 0 15 6 1 1 0 0 0 13 36 1 1 0 0 0 M END > CHEBI:85083 > sofosbuvir > A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection. > 3 > PSI-7977; PSI 7977; isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate; GS-7977; GI 7977 > Sovaldi > C22H29FN3O9P > 529.45250 > 529.16254 > 0 > CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 > InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1 > TTZHDVOVKQGIBA-IQWMDFIBSA-N > 1190307-88-0 > 20867484 > 1190307-88-0 > D10366 > Sofosbuvir > 25123381; 25159822; 25261839; 25304641; 25322962; 25583164; 25601269; 25614962; 25619265; 25621961; 25622055; 25641426; 25645644; 25659285; 25674516; 25676703; 25708155 $$$$