O1-tert-butyl O2-methyl (2R,4R)-4-(6-benzamidopurin-9-yl)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2R,4R)-4-(6-benzamidopurin-9-yl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2R,4R)-4-(6-benzamidopurin-9-yl)pyrrolidine-1,2-dicarboxylate CAS Name: (2R,4R)-4-(6-benzamido-9-purinyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2R,4R)-4-(6-benzamidopurin-9-yl)pyrrolidine-1,2-dicarboxylate Traditional Name: (2R,4R)-4-(6-benzamidopurin-9-yl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C23H26N6O5 MolecularWeight: 466.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)OC)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N6O5/c1-23(2,3)34-22(32)28-11-15(10-16(28)21(31)33-4)29-13-26-17-18(24-12-25-19(17)29)27-20(30)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,24,25,27,30)/t15-,16-/m1/s1