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

Systemtic Name: [3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] 2-azanyl-3-methyl-butanoate Openeye Name: [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [3-[(2-amino-3-methyl-1-oxobutoxy)methyl]-4-(2-amino-9-purinyl)butyl] ester IUPAC Name: [3-[(2-amino-3-methylbutanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] ester Formula: C20H33N7O4 MolecularWeight: 435.52052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N7O4/c1-11(2)15(21)18(28)30-6-5-13(9-31-19(29)16(22)12(3)4)8-27-10-25-14-7-24-20(23)26-17(14)27/h7,10-13,15-16H,5-6,8-9,21-22H2,1-4H3,(H2,23,24,26)