ethyl 6-(dodecanoylamino)-2-(octadecylcarbamoylamino)hexanoate

Systemtic Name: ethyl 6-(dodecanoylamino)-2-(octadecylcarbamoylamino)hexanoate Openeye Name: ethyl 6-(dodecanoylamino)-2-(octadecylcarbamoylamino)hexanoate CAS Name: 2-[[(octadecylamino)-oxomethyl]amino]-6-(1-oxododecylamino)hexanoic acid ethyl ester IUPAC Name: ethyl 6-(dodecanoylamino)-2-(octadecylcarbamoylamino)hexanoate Traditional Name: 6-(lauroylamino)-2-(stearylcarbamoylamino)hexanoic acid ethyl ester Formula: C39H77N3O4 MolecularWeight: 652.04638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NC(CCCCNC(=O)CCCCCCCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NC(CCCCNC(=O)CCCCCCCCCCC)C(=O)OCC

InChI

InChI=1S/C39H77N3O4/c1-4-7-9-11-13-15-16-17-18-19-20-21-23-25-27-30-35-41-39(45)42-36(38(44)46-6-3)32-29-31-34-40-37(43)33-28-26-24-22-14-12-10-8-5-2/h36H,4-35H2,1-3H3,(H,40,43)(H2,41,42,45)