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

Systemtic Name: [1-[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-heptadecyl] 2,6-bis(azanyl)hexanoate Openeye Name: [1-[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-oxo-heptadecyl] 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [1-[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]-2-oxoheptadecyl] ester IUPAC Name: [1-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-oxoheptadecyl] 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid [1-(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)-2-keto-heptadecyl] ester Formula: C32H55N7O5 MolecularWeight: 617.823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55N7O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(40)28(44-32(42)23(34)17-15-16-19-33)29-25(41)20-26(43-29)39-22-38-27-30(35)36-21-37-31(27)39/h21-23,25-26,28-29,41H,2-20,33-34H2,1H3,(H2,35,36,37)