O1-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-fluoranyl-oxolan-2-yl]methyl] O4-[1,3-bis[(2-azanyl-3-methyl-butanoyl)oxy]propan-2-yl] butanedioate

Systemtic Name: O1-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-fluoranyl-oxolan-2-yl]methyl] O4-[1,3-bis[(2-azanyl-3-methyl-butanoyl)oxy]propan-2-yl] butanedioate Openeye Name: O4-[2-(2-amino-3-methyl-butanoyl)oxy-1-[(2-amino-3-methyl-butanoyl)oxymethyl]ethyl] O1-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluoro-tetrahydrofuran-2-yl]methyl] butanedioate CAS Name: butanedioic acid O1-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluoro-2-oxolanyl]methyl] ester O4-[1,3-bis(2-amino-3-methyl-1-oxobutoxy)propan-2-yl] ester IUPAC Name: 1-O-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluorooxolan-2-yl]methyl] 4-O-[1,3-bis[(2-amino-3-methylbutanoyl)oxy]propan-2-yl] butanedioate Traditional Name: succinic acid O1-[[5-(2-amino-6-keto-3H-purin-9-yl)-3-fluoro-tetrahydrofuran-2-yl]methyl] ester O4-[2-(2-amino-3-methyl-butanoyl)oxy-1-[(2-amino-3-methyl-butanoyl)oxymethyl]ethyl] ester Formula: C27H40FN7O10 MolecularWeight: 641.645803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(COC(=O)C(C(C)C)N)OC(=O)CCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)F)N

Isomeric SMILES

CC(C)C(C(=O)OCC(COC(=O)C(C(C)C)N)OC(=O)CCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)F)N

InChI

InChI=1S/C27H40FN7O10/c1-12(2)20(29)25(39)42-8-14(9-43-26(40)21(30)13(3)4)44-19(37)6-5-18(36)41-10-16-15(28)7-17(45-16)35-11-32-22-23(35)33-27(31)34-24(22)38/h11-17,20-21H,5-10,29-30H2,1-4H3,(H3,31,33,34,38)