[4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] (E)-hexadec-9-enoate

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] (E)-hexadec-9-enoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-[(2-amino-9-purinyl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] ester Formula: C32H54N6O4 MolecularWeight: 586.80896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=CN=C(N=C21)N

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=CN=C(N=C21)N

InChI

InChI=1S/C32H54N6O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-28(39)42-23-26(19-20-41-31(40)29(33)25(3)5-2)22-38-24-36-27-21-35-32(34)37-30(27)38/h10-11,21,24-26,29H,4-9,12-20,22-23,33H2,1-3H3,(H2,34,35,37)/b11-10+