[(2R,3R,4R,5R)-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3R,4R,5R)-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [(2R,3R,4R,5R)-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3R,4R,5R)-3-(1,4-dioxopentoxy)-4-(2-methoxyethoxy)-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3R,4R,5R)-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]-3-(4-ketopentanoyloxy)-4-(2-methoxyethoxy)tetrahydrofuran-2-yl]methyl ester Formula: C27H37N5O11 MolecularWeight: 607.60958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OCCOC

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OCCOC

InChI

InChI=1S/C27H37N5O11/c1-14(2)24(37)30-27-29-23-20(25(38)31-27)28-13-32(23)26-22(40-11-10-39-5)21(43-19(36)9-7-16(4)34)17(42-26)12-41-18(35)8-6-15(3)33/h13-14,17,21-22,26H,6-12H2,1-5H3,(H2,29,30,31,37,38)/t17-,21-,22-,26-/m1/s1