[3-[(2-azanyl-3-methyl-pentanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] 2-azanyl-3-methyl-pentanoate

Systemtic Name: [3-[(2-azanyl-3-methyl-pentanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] 2-azanyl-3-methyl-pentanoate Openeye Name: [3-[(2-amino-3-methyl-pentanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [3-[(2-amino-3-methyl-1-oxopentoxy)methyl]-4-(2-amino-9-purinyl)butyl] ester IUPAC Name: [3-[(2-amino-3-methylpentanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [3-[(2-amino-3-methyl-pentanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] ester Formula: C22H37N7O4 MolecularWeight: 463.57368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N7O4/c1-5-13(3)17(23)20(30)32-8-7-15(11-33-21(31)18(24)14(4)6-2)10-29-12-27-16-9-26-22(25)28-19(16)29/h9,12-15,17-18H,5-8,10-11,23-24H2,1-4H3,(H2,25,26,28)