[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-(2-methoxyethoxy)-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-(2-methoxyethoxy)-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-(2-methoxyethoxy)-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3R,4R,5R)-5-(6-benzamido-9-purinyl)-3-(1,4-dioxopentoxy)-4-(2-methoxyethoxy)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-(2-methoxyethoxy)-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-3-(4-ketopentanoyloxy)-4-(2-methoxyethoxy)tetrahydrofuran-2-yl]methyl ester Formula: C30H35N5O10 MolecularWeight: 625.6264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OCCOC)OC(=O)CCC(=O)C

Isomeric SMILES

CC(=O)CCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OCCOC)OC(=O)CCC(=O)C

InChI

InChI=1S/C30H35N5O10/c1-18(36)9-11-22(38)43-15-21-25(45-23(39)12-10-19(2)37)26(42-14-13-41-3)30(44-21)35-17-33-24-27(31-16-32-28(24)35)34-29(40)20-7-5-4-6-8-20/h4-8,16-17,21,25-26,30H,9-15H2,1-3H3,(H,31,32,34,40)/t21-,25-,26-,30-/m1/s1