[(2S,3S,4S,5R)-2-[4-[bis(phenylcarbonyl)amino]-5-(phenylcarbonyl)pyrrolo[3,2-d]pyrimidin-7-yl]-4-bromanyl-5-[(2,4,4-trimethyl-5-oxidanylidene-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4S,5R)-2-[4-[bis(phenylcarbonyl)amino]-5-(phenylcarbonyl)pyrrolo[3,2-d]pyrimidin-7-yl]-4-bromanyl-5-[(2,4,4-trimethyl-5-oxidanylidene-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] ethanoate Openeye Name: [(2S,3S,4S,5R)-2-[5-benzoyl-4-(dibenzoylamino)pyrrolo[3,2-d]pyrimidin-7-yl]-4-bromo-5-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4S,5R)-2-[5-benzoyl-4-(dibenzoylamino)-7-pyrrolo[3,2-d]pyrimidinyl]-4-bromo-5-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2S,3S,4S,5R)-2-[5-benzoyl-4-(dibenzoylamino)pyrrolo[3,2-d]pyrimidin-7-yl]-4-bromo-5-[(2,4,4-trimethyl-5-oxo-1,3-dioxolan-2-yl)oxymethyl]oxolan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,5R)-2-[5-benzoyl-4-(dibenzoylamino)pyrrolo[3,2-d]pyrimidin-7-yl]-4-bromo-5-[(5-keto-2,4,4-trimethyl-1,3-dioxolan-2-yl)oxymethyl]tetrahydrofuran-3-yl] ester Formula: C40H35BrN4O10 MolecularWeight: 811.6307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1C2=CN(C3=C2N=CN=C3N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)COC7(OC(=O)C(O7)(C)C)C)Br

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@H](O[C@H]1C2=CN(C3=C2N=CN=C3N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)COC7(OC(=O)C(O7)(C)C)C)Br

InChI

InChI=1S/C40H35BrN4O10/c1-23(46)52-33-29(41)28(21-51-40(4)54-38(50)39(2,3)55-40)53-32(33)27-20-44(35(47)24-14-8-5-9-15-24)31-30(27)42-22-43-34(31)45(36(48)25-16-10-6-11-17-25)37(49)26-18-12-7-13-19-26/h5-20,22,28-29,32-33H,21H2,1-4H3/t28-,29+,32+,33-,40?/m1/s1