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

Systemtic Name: [4-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate Openeye Name: [4-[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate CAS Name: octadecanoic acid [4-[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutoxy]-2-(7-purinylmethyl)butyl] ester IUPAC Name: [4-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate Traditional Name: stearic acid [4-[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]oxy-2-(purin-7-ylmethyl)butyl] ester Formula: C38H65N5O6 MolecularWeight: 687.9526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OC(C)(C)C)CN1C=NC2=NC=NC=C21

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OC(C)(C)C)CN1C=NC2=NC=NC=C21

InChI

InChI=1S/C38H65N5O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(44)48-27-31(26-43-29-41-35-32(43)25-39-28-40-35)23-24-47-36(45)34(30(2)3)42-37(46)49-38(4,5)6/h25,28-31,34H,7-24,26-27H2,1-6H3,(H,42,46)