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

Systemtic Name: [(2S,3S,4R)-1-oxidanyl-3-(phenylcarbonyloxy)-2-(tetracosanoylamino)octadecan-4-yl] benzoate Openeye Name: [(1R)-1-[(1S,2S)-1-benzoyloxy-3-hydroxy-2-(tetracosanoylamino)propyl]pentadecyl] benzoate CAS Name: benzoic acid [(2S,3S,4R)-3-benzoyloxy-1-hydroxy-2-(1-oxotetracosylamino)octadecan-4-yl] ester IUPAC Name: [(2S,3S,4R)-3-benzoyloxy-1-hydroxy-2-(tetracosanoylamino)octadecan-4-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S,2S)-1-benzoyloxy-3-hydroxy-2-(tetracosanoylamino)propyl]pentadecyl] ester Formula: C56H93NO6 MolecularWeight: 876.34072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=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/C56H93NO6/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-41-47-53(59)57-51(48-58)54(63-56(61)50-44-38-35-39-45-50)52(62-55(60)49-42-36-34-37-43-49)46-40-32-30-28-26-16-14-12-10-8-6-4-2/h34-39,42-45,51-52,54,58H,3-33,40-41,46-48H2,1-2H3,(H,57,59)/t51-,52+,54-/m0/s1