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

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] (E)-tetradec-9-enoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] (E)-tetradec-9-enoate CAS Name: (E)-9-tetradecenoic 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)-tetradec-9-enoate Traditional Name: (E)-tetradec-9-enoic acid [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] ester Formula: C30H50N6O4 MolecularWeight: 558.7558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50N6O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-26(37)40-21-24(17-18-39-29(38)27(31)23(3)5-2)20-36-22-34-25-19-33-30(32)35-28(25)36/h8-9,19,22-24,27H,4-7,10-18,20-21,31H2,1-3H3,(H2,32,33,35)/b9-8+