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

Systemtic Name: [(3R)-3-(hydroxymethyl)-4-purin-9-yl-butyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [(3R)-3-(hydroxymethyl)-4-purin-9-yl-butyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [(3R)-3-(hydroxymethyl)-4-(9-purinyl)butyl] ester IUPAC Name: [(3R)-3-(hydroxymethyl)-4-purin-9-ylbutyl] (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [(3R)-3-methylol-4-purin-9-yl-butyl] ester Formula: C15H23N5O3 MolecularWeight: 321.37482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O3/c1-10(2)13(16)15(22)23-4-3-11(7-21)6-20-9-19-12-5-17-8-18-14(12)20/h5,8-11,13,21H,3-4,6-7,16H2,1-2H3/t11-,13+/m1/s1