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

Systemtic Name: [3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] octadecanoate Openeye Name: [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] octadecanoate CAS Name: octadecanoic 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] octadecanoate Traditional Name: stearic acid [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] ester Formula: C33H58N6O4 MolecularWeight: 602.85142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H58N6O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(40)42-21-20-27(24-43-32(41)30(34)26(2)3)23-39-25-37-28-22-36-33(35)38-31(28)39/h22,25-27,30H,4-21,23-24,34H2,1-3H3,(H2,35,36,38)