[1-[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-tridecyl] 2,6-bis(azanyl)hexanoate

Systemtic Name: [1-[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-tridecyl] 2,6-bis(azanyl)hexanoate Openeye Name: [1-[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-oxo-tridecyl] 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [1-[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]-2-oxotridecyl] ester IUPAC Name: [1-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-oxotridecyl] 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid [1-(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)-2-keto-tridecyl] ester Formula: C28H47N7O5 MolecularWeight: 561.71668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)OC(=O)C(CCCCN)N

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)OC(=O)C(CCCCN)N

InChI

InChI=1S/C28H47N7O5/c1-2-3-4-5-6-7-8-9-10-14-20(36)24(40-28(38)19(30)13-11-12-15-29)25-21(37)16-22(39-25)35-18-34-23-26(31)32-17-33-27(23)35/h17-19,21-22,24-25,37H,2-16,29-30H2,1H3,(H2,31,32,33)