[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl ester IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [(3aR,4R,6R,6aR)-4-adenin-9-yl-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl ester Formula: C23H27ClN6O5 MolecularWeight: 502.95068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1C2C(C(O1)N3C=NC4=C3N=CN=C4N)(OC(O2)C5=CC=C(C=C5)Cl)C)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC[C@@H]1[C@@H]2[C@]([C@@H](O1)N3C=NC4=C3N=CN=C4N)(OC(O2)C5=CC=C(C=C5)Cl)C)N

InChI

InChI=1S/C23H27ClN6O5/c1-11(2)15(25)20(31)32-8-14-17-23(3,35-21(34-17)12-4-6-13(24)7-5-12)22(33-14)30-10-29-16-18(26)27-9-28-19(16)30/h4-7,9-11,14-15,17,21-22H,8,25H2,1-3H3,(H2,26,27,28)/t14-,15+,17-,21?,22-,23-/m1/s1