[(2S,3R,24R,25S)-2,25-dibenzamido-24-(phenylcarbonyloxy)hexacosan-3-yl] benzoate

Systemtic Name: [(2S,3R,24R,25S)-2,25-dibenzamido-24-(phenylcarbonyloxy)hexacosan-3-yl] benzoate Openeye Name: [(1R,22R,23S)-23-benzamido-1-[(1S)-1-benzamidoethyl]-22-benzoyloxy-tetracosyl] benzoate CAS Name: benzoic acid [(2S,3R,24R,25S)-2,25-dibenzamido-24-benzoyloxyhexacosan-3-yl] ester IUPAC Name: [(2S,3R,24R,25S)-2,25-dibenzamido-24-benzoyloxyhexacosan-3-yl] benzoate Traditional Name: benzoic acid [(1R,22R,23S)-23-benzamido-1-[(1S)-1-benzamidoethyl]-22-benzoyloxy-tetracosyl] ester Formula: C54H72N2O6 MolecularWeight: 845.15928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCCCCCCCCCCCCCCCCCC(C(C)NC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]([C@@H](CCCCCCCCCCCCCCCCCCCC[C@H]([C@H](C)NC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C54H72N2O6/c1-43(55-51(57)45-33-23-19-24-34-45)49(61-53(59)47-37-27-21-28-38-47)41-31-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-32-42-50(62-54(60)48-39-29-22-30-40-48)44(2)56-52(58)46-35-25-20-26-36-46/h19-30,33-40,43-44,49-50H,3-18,31-32,41-42H2,1-2H3,(H,55,57)(H,56,58)/t43-,44-,49+,50+/m0/s1