2-azanyl-N-[3-(diethylamino)-4-ethyl-4-[(octadecanoylamino)methyl]hexan-3-yl]octadecanamide

Systemtic Name: 2-azanyl-N-[3-(diethylamino)-4-ethyl-4-[(octadecanoylamino)methyl]hexan-3-yl]octadecanamide Openeye Name: 2-amino-N-[1-(diethylamino)-1,2-diethyl-2-[(octadecanoylamino)methyl]butyl]octadecanamide CAS Name: 2-amino-N-[3-(diethylamino)-4-ethyl-4-[(1-oxooctadecylamino)methyl]hexan-3-yl]octadecanamide IUPAC Name: 2-amino-N-[3-(diethylamino)-4-ethyl-4-[(octadecanoylamino)methyl]hexan-3-yl]octadecanamide Traditional Name: 2-amino-N-[1-(diethylamino)-1,2-diethyl-2-(stearamidomethyl)butyl]stearamide Formula: C49H100N4O2 MolecularWeight: 777.3439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(CC)(CC)C(CC)(NC(=O)C(CCCCCCCCCCCCCCCC)N)N(CC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(CC)(CC)C(CC)(NC(=O)C(CCCCCCCCCCCCCCCC)N)N(CC)CC

InChI

InChI=1S/C49H100N4O2/c1-8-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46(54)51-44-48(10-3,11-4)49(12-5,53(13-6)14-7)52-47(55)45(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-9-2/h45H,8-44,50H2,1-7H3,(H,51,54)(H,52,55)