[(2S,3S,4R)-2-[[(2R)-2-acetyloxyhexacosanoyl]amino]-1-oxidanyl-3-(phenylcarbonyloxy)icosan-4-yl] benzoate

Systemtic Name: [(2S,3S,4R)-2-[[(2R)-2-acetyloxyhexacosanoyl]amino]-1-oxidanyl-3-(phenylcarbonyloxy)icosan-4-yl] benzoate Openeye Name: [(1R)-1-[(1S,2S)-2-[[(2R)-2-acetoxyhexacosanoyl]amino]-1-benzoyloxy-3-hydroxy-propyl]heptadecyl] benzoate CAS Name: benzoic acid [(2S,3S,4R)-2-[[(2R)-2-acetyloxy-1-oxohexacosyl]amino]-3-benzoyloxy-1-hydroxyeicosan-4-yl] ester IUPAC Name: [(2S,3S,4R)-2-[[(2R)-2-acetyloxyhexacosanoyl]amino]-3-benzoyloxy-1-hydroxyicosan-4-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S,2S)-2-[[(2R)-2-acetoxyhexacosanoyl]amino]-1-benzoyloxy-3-hydroxy-propyl]heptadecyl] ester Formula: C62H103NO8 MolecularWeight: 990.48312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C62H103NO8/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-45-51-58(69-53(3)65)60(66)63-56(52-64)59(71-62(68)55-48-42-39-43-49-55)57(70-61(67)54-46-40-38-41-47-54)50-44-36-34-32-30-28-19-17-15-13-11-9-7-5-2/h38-43,46-49,56-59,64H,4-37,44-45,50-52H2,1-3H3,(H,63,66)/t56-,57+,58+,59-/m0/s1