tert-butyl (2S,3S,4R,5R)-2-(4-chloranyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S,4R,5R)-2-(4-chloranyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3R,4S,5S)-3,4-dibenzoyloxy-2-(benzoyloxymethyl)-5-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate CAS Name: (2R,3R,4S,5S)-3,4-dibenzoyloxy-2-(benzoyloxymethyl)-5-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R,4S,5S)-3,4-dibenzoyloxy-2-(benzoyloxymethyl)-5-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate Traditional Name: (2R,3R,4S,5S)-3,4-dibenzoyloxy-2-(benzoyloxymethyl)-5-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C37H33ClN4O8 MolecularWeight: 697.13292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(C(C1C2=CNC3=C2N=CN=C3Cl)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]([C@H]([C@H]([C@@H]1C2=CNC3=C2N=CN=C3Cl)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

InChI

InChI=1S/C37H33ClN4O8/c1-37(2,3)50-36(46)42-26(20-47-33(43)22-13-7-4-8-14-22)30(48-34(44)23-15-9-5-10-16-23)31(49-35(45)24-17-11-6-12-18-24)29(42)25-19-39-28-27(25)40-21-41-32(28)38/h4-19,21,26,29-31,39H,20H2,1-3H3/t26-,29+,30-,31+/m1/s1