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

Systemtic Name: [3-[(2-azanyl-3-methyl-butanoyl)oxymethyl]-4-(2-azanylpurin-9-yl)butyl] (E)-tetradec-9-enoate Openeye Name: [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] (E)-tetradec-9-enoate CAS Name: (E)-9-tetradecenoic 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] (E)-tetradec-9-enoate Traditional Name: (E)-tetradec-9-enoic acid [3-[(2-amino-3-methyl-butanoyl)oxymethyl]-4-(2-aminopurin-9-yl)butyl] ester Formula: C29H48N6O4 MolecularWeight: 544.72922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=C/CCCCCCCC(=O)OCCC(CN1C=NC2=CN=C(N=C21)N)COC(=O)C(C(C)C)N

InChI

InChI=1S/C29H48N6O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(36)38-17-16-23(20-39-28(37)26(30)22(2)3)19-35-21-33-24-18-32-29(31)34-27(24)35/h7-8,18,21-23,26H,4-6,9-17,19-20,30H2,1-3H3,(H2,31,32,34)/b8-7+