diethyl (3R,5S)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-2-methyl-1,2-oxazolidine-3,5-dicarboxylate

Systemtic Name: diethyl (3R,5S)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-2-methyl-1,2-oxazolidine-3,5-dicarboxylate Openeye Name: diethyl (3R,5S)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-2-methyl-isoxazolidine-3,5-dicarboxylate CAS Name: (3R,5S)-5-[2-acetamido-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]-2-methylisoxazolidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3R,5S)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-2-methyl-1,2-oxazolidine-3,5-dicarboxylate Traditional Name: (3R,5S)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-2-methyl-isoxazolidine-3,5-dicarboxylic acid diethyl ester Formula: C30H31N7O8 MolecularWeight: 617.60924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(ON1C)(C(=O)OCC)N2C=NC3=C2N=C(N=C3OC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1C[C@](ON1C)(C(=O)OCC)N2C=NC3=C2N=C(N=C3OC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C

InChI

InChI=1S/C30H31N7O8/c1-5-42-26(39)22-17-30(45-35(22)4,27(40)43-6-2)36-18-31-23-24(36)33-28(32-19(3)38)34-25(23)44-29(41)37(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,5-6,17H2,1-4H3,(H,32,33,34,38)/t22-,30+/m1/s1