[(2S,3S,4R)-2-(hexadecanoylamino)-1-oxidanyl-3-(phenylcarbonyloxy)octadecan-4-yl] benzoate

Systemtic Name: [(2S,3S,4R)-2-(hexadecanoylamino)-1-oxidanyl-3-(phenylcarbonyloxy)octadecan-4-yl] benzoate Openeye Name: [(1R)-1-[(1S,2S)-1-benzoyloxy-2-(hexadecanoylamino)-3-hydroxy-propyl]pentadecyl] benzoate CAS Name: benzoic acid [(2S,3S,4R)-3-benzoyloxy-1-hydroxy-2-(1-oxohexadecylamino)octadecan-4-yl] ester IUPAC Name: [(2S,3S,4R)-3-benzoyloxy-2-(hexadecanoylamino)-1-hydroxyoctadecan-4-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S,2S)-1-benzoyloxy-3-hydroxy-2-palmitamido-propyl]pentadecyl] ester Formula: C48H77NO6 MolecularWeight: 764.12808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C48H77NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-39-45(51)49-43(40-50)46(55-48(53)42-36-30-27-31-37-42)44(54-47(52)41-34-28-26-29-35-41)38-32-24-22-20-18-16-14-12-10-8-6-4-2/h26-31,34-37,43-44,46,50H,3-25,32-33,38-40H2,1-2H3,(H,49,51)/t43-,44+,46-/m0/s1