[(3R)-3-[[(2S)-2-azanyl-3-methyl-butanoyl]oxymethyl]-4-purin-9-yl-butyl] (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: [(3R)-3-[[(2S)-2-azanyl-3-methyl-butanoyl]oxymethyl]-4-purin-9-yl-butyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [(3R)-3-[[(2S)-2-amino-3-methyl-butanoyl]oxymethyl]-4-purin-9-yl-butyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [(3R)-3-[[(2S)-2-amino-3-methyl-1-oxobutoxy]methyl]-4-(9-purinyl)butyl] ester IUPAC Name: [(3R)-3-[[(2S)-2-amino-3-methylbutanoyl]oxymethyl]-4-purin-9-ylbutyl] (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [(3R)-3-[[(2S)-2-amino-3-methyl-butanoyl]oxymethyl]-4-purin-9-yl-butyl] ester Formula: C20H32N6O4 MolecularWeight: 420.50588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCC(CN1C=NC2=CN=CN=C21)COC(=O)C(C(C)C)N)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC[C@H](CN1C=NC2=CN=CN=C21)COC(=O)[C@H](C(C)C)N)N

InChI

InChI=1S/C20H32N6O4/c1-12(2)16(21)19(27)29-6-5-14(9-30-20(28)17(22)13(3)4)8-26-11-25-15-7-23-10-24-18(15)26/h7,10-14,16-17H,5-6,8-9,21-22H2,1-4H3/t14-,16+,17+/m1/s1