[4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] (E)-tetradec-9-enoate

Systemtic Name: [4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] (E)-tetradec-9-enoate Openeye Name: [4-(2-amino-3-methyl-butanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] (E)-tetradec-9-enoate CAS Name: (E)-9-tetradecenoic acid [4-(2-amino-3-methyl-1-oxobutoxy)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylbutanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] (E)-tetradec-9-enoate Traditional Name: (E)-tetradec-9-enoic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-butanoyl)oxy-butyl] ester Formula: C29H48N6O5 MolecularWeight: 560.72862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCC/C=C/CCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C29H48N6O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-23(36)40-19-22(16-17-39-28(38)24(30)21(2)3)18-35-20-32-25-26(35)33-29(31)34-27(25)37/h7-8,20-22,24H,4-6,9-19,30H2,1-3H3,(H3,31,33,34,37)/b8-7+