methyl (1R)-1-[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[6-(phenylmethoxycarbonylamino)purin-9-yl]oxolan-2-yl]methyl]-5-ethoxy-2-methyl-3-oxidanylidene-7-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: methyl (1R)-1-[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[6-(phenylmethoxycarbonylamino)purin-9-yl]oxolan-2-yl]methyl]-5-ethoxy-2-methyl-3-oxidanylidene-7-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: methyl (1R)-1-[[(2R,3S,4R,5R)-5-[6-(benzyloxycarbonylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-5-ethoxy-2-methyl-3-oxo-7-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylate CAS Name: (1R)-1-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(phenylmethoxycarbonylamino)-9-purinyl]-2-oxolanyl]methyl]-5-ethoxy-2-methyl-3-oxo-7-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R)-1-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(phenylmethoxycarbonylamino)purin-9-yl]oxolan-2-yl]methyl]-5-ethoxy-2-methyl-3-oxo-7-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1R)-1-[[(2R,3S,4R,5R)-5-[6-(benzyloxycarbonylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-5-ethoxy-3-keto-2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic acid methyl ester Formula: C28H32N6O10 MolecularWeight: 612.58788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC2(N(C(=O)C1(O2)C(=O)OC)C)CC3C(C(C(O3)N4C=NC5=C4N=CN=C5NC(=O)OCC6=CC=CC=C6)O)O

Isomeric SMILES

CCOC1C[C@@]2(N(C(=O)C1(O2)C(=O)OC)C)C[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5NC(=O)OCC6=CC=CC=C6)O)O

InChI

InChI=1S/C28H32N6O10/c1-4-41-17-11-27(33(2)24(37)28(17,44-27)25(38)40-3)10-16-19(35)20(36)23(43-16)34-14-31-18-21(29-13-30-22(18)34)32-26(39)42-12-15-8-6-5-7-9-15/h5-9,13-14,16-17,19-20,23,35-36H,4,10-12H2,1-3H3,(H,29,30,32,39)/t16-,17?,19-,20-,23-,27-,28?/m1/s1