2-(methylamino)ethyl [4-(octadecanoylamino)-2-tetracosanoyl-phenyl] hydrogen phosphate

Systemtic Name: 2-(methylamino)ethyl [4-(octadecanoylamino)-2-tetracosanoyl-phenyl] hydrogen phosphate Openeye Name: 2-(methylamino)ethyl [4-(octadecanoylamino)-2-tetracosanoyl-phenyl] hydrogen phosphate CAS Name: 2-(methylamino)ethyl [4-(1-oxooctadecylamino)-2-(1-oxotetracosyl)phenyl] hydrogen phosphate IUPAC Name: 2-(methylamino)ethyl [4-(octadecanoylamino)-2-tetracosanoylphenyl] hydrogen phosphate Traditional Name: 2-(methylamino)ethyl (4-stearamido-2-tetracosanoyl-phenyl) hydrogen phosphate Formula: C51H95N2O6P MolecularWeight: 863.283561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)NC(=O)CCCCCCCCCCCCCCCCC)OP(=O)(O)OCCNC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)NC(=O)CCCCCCCCCCCCCCCCC)OP(=O)(O)OCCNC

InChI

InChI=1S/C51H95N2O6P/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-40-49(54)48-46-47(42-43-50(48)59-60(56,57)58-45-44-52-3)53-51(55)41-39-37-35-33-31-29-26-19-17-15-13-11-9-7-5-2/h42-43,46,52H,4-41,44-45H2,1-3H3,(H,53,55)(H,56,57)