[(3R)-5-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]pentyl] octadecanoate

Systemtic Name: [(3R)-5-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]pentyl] octadecanoate Openeye Name: [(3R)-5-[(2S)-2-amino-3-methyl-butanoyl]oxy-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]pentyl] octadecanoate CAS Name: octadecanoic acid [(3R)-5-[(2S)-2-amino-3-methyl-1-oxobutoxy]-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]pentyl] ester IUPAC Name: [(3R)-5-[(2S)-2-amino-3-methylbutanoyl]oxy-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]pentyl] octadecanoate Traditional Name: stearic acid [(3R)-3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-5-[(2S)-2-amino-3-methyl-butanoyl]oxy-pentyl] ester Formula: C34H60N6O5 MolecularWeight: 632.8774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[C@H](CCOC(=O)[C@H](C(C)C)N)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C34H60N6O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(41)44-22-20-27(21-23-45-33(43)29(35)26(2)3)24-40-25-37-30-31(40)38-34(36)39-32(30)42/h25-27,29H,4-24,35H2,1-3H3,(H3,36,38,39,42)/t27-,29+/m1/s1