[4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate

Systemtic Name: [4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate Openeye Name: [4-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate CAS Name: octadecanoic acid [4-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]-2-(7-purinylmethyl)butyl] ester IUPAC Name: [4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate Traditional Name: stearic acid [4-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-(purin-7-ylmethyl)butyl] ester Formula: C41H63N5O6 MolecularWeight: 721.96882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)CN2C=NC3=NC=NC=C32

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)CN2C=NC3=NC=NC=C32

InChI

InChI=1S/C41H63N5O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-37(47)51-30-35(28-46-32-44-39-36(46)27-42-31-43-39)25-26-50-40(48)38(33(2)3)45-41(49)52-29-34-22-19-18-20-23-34/h18-20,22-23,27,31-33,35,38H,4-17,21,24-26,28-30H2,1-3H3,(H,45,49)