[3-(2-azanyl-3-methyl-butanoyl)oxy-4-(2-azanylpurin-9-yl)butyl] (E)-icos-11-enoate

Systemtic Name: [3-(2-azanyl-3-methyl-butanoyl)oxy-4-(2-azanylpurin-9-yl)butyl] (E)-icos-11-enoate Openeye Name: [3-(2-amino-3-methyl-butanoyl)oxy-4-(2-aminopurin-9-yl)butyl] (E)-icos-11-enoate CAS Name: (E)-11-eicosenoic acid [3-(2-amino-3-methyl-1-oxobutoxy)-4-(2-amino-9-purinyl)butyl] ester IUPAC Name: [3-(2-amino-3-methylbutanoyl)oxy-4-(2-aminopurin-9-yl)butyl] (E)-icos-11-enoate Traditional Name: (E)-eicos-11-enoic acid [3-(2-amino-3-methyl-butanoyl)oxy-4-(2-aminopurin-9-yl)butyl] ester Formula: C34H58N6O4 MolecularWeight: 614.86212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCC(=O)OCCC(CN1C=NC2=CN=C(N=C21)N)OC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCC(=O)OCCC(CN1C=NC2=CN=C(N=C21)N)OC(=O)C(C(C)C)N

InChI

InChI=1S/C34H58N6O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(41)43-23-22-28(44-33(42)31(35)27(2)3)25-40-26-38-29-24-37-34(36)39-32(29)40/h11-12,24,26-28,31H,4-10,13-23,25,35H2,1-3H3,(H2,36,37,39)/b12-11+