[3-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]propyl] octadecanoate

Systemtic Name: [3-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]propyl] octadecanoate Openeye Name: [3-[(2S)-2-amino-3-methyl-butanoyl]oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl] octadecanoate CAS Name: octadecanoic acid [3-[(2S)-2-amino-3-methyl-1-oxobutoxy]-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl] ester IUPAC Name: [3-[(2S)-2-amino-3-methylbutanoyl]oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl] octadecanoate Traditional Name: stearic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-[(2S)-2-amino-3-methyl-butanoyl]oxy-propyl] ester Formula: C32H56N6O6 MolecularWeight: 620.82364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C(C)C)N)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](C(C)C)N)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C32H56N6O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(39)42-20-25(21-43-31(41)27(33)24(2)3)44-23-38-22-35-28-29(38)36-32(34)37-30(28)40/h22,24-25,27H,4-21,23,33H2,1-3H3,(H3,34,36,37,40)/t25?,27-/m0/s1