[(2R)-4-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-2-(purin-9-ylmethyl)butyl] heptadecanoate

Systemtic Name: [(2R)-4-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-2-(purin-9-ylmethyl)butyl] heptadecanoate Openeye Name: [(2R)-4-[(2S)-2-amino-3-methyl-butanoyl]oxy-2-(purin-9-ylmethyl)butyl] heptadecanoate CAS Name: heptadecanoic acid [(2R)-4-[(2S)-2-amino-3-methyl-1-oxobutoxy]-2-(9-purinylmethyl)butyl] ester IUPAC Name: [(2R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-2-(purin-9-ylmethyl)butyl] heptadecanoate Traditional Name: heptadecanoic acid [(2R)-4-[(2S)-2-amino-3-methyl-butanoyl]oxy-2-(purin-9-ylmethyl)butyl] ester Formula: C32H55N5O4 MolecularWeight: 573.8102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=CN=CN=C21

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](CCOC(=O)[C@H](C(C)C)N)CN1C=NC2=CN=CN=C21

InChI

InChI=1S/C32H55N5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(38)41-23-27(19-20-40-32(39)30(33)26(2)3)22-37-25-36-28-21-34-24-35-31(28)37/h21,24-27,30H,4-20,22-23,33H2,1-3H3/t27-,30+/m1/s1