[2-[[(2S)-2-azanyl-3-methyl-butanoyl]oxymethyl]-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[[(2S)-2-azanyl-3-methyl-butanoyl]oxymethyl]-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [2-[[(2S)-2-amino-3-methyl-butanoyl]oxymethyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [2-[[(2S)-2-amino-3-methyl-1-oxobutoxy]methyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] ester IUPAC Name: [2-[[(2S)-2-amino-3-methylbutanoyl]oxymethyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-[[(2S)-2-amino-3-methyl-butanoyl]oxymethyl]butyl] ester Formula: C20H33N7O5 MolecularWeight: 451.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C(C)C)N)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)[C@H](C(C)C)N)N

InChI

InChI=1S/C20H33N7O5/c1-10(2)13(21)18(29)31-7-12(8-32-19(30)14(22)11(3)4)5-6-27-9-24-15-16(27)25-20(23)26-17(15)28/h9-14H,5-8,21-22H2,1-4H3,(H3,23,25,26,28)/t13-,14-/m0/s1