[(2S)-3-oxidanylidene-3-phenylmethoxy-2-[2-(tetradecanoylamino)ethanoylamino]propyl] hexadecanoate

Systemtic Name: [(2S)-3-oxidanylidene-3-phenylmethoxy-2-[2-(tetradecanoylamino)ethanoylamino]propyl] hexadecanoate Openeye Name: [(2S)-3-benzyloxy-3-oxo-2-[[2-(tetradecanoylamino)acetyl]amino]propyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-3-oxo-2-[[1-oxo-2-(1-oxotetradecylamino)ethyl]amino]-3-phenylmethoxypropyl] ester IUPAC Name: [(2S)-3-oxo-3-phenylmethoxy-2-[[2-(tetradecanoylamino)acetyl]amino]propyl] hexadecanoate Traditional Name: palmitic acid [(2S)-3-benzoxy-3-keto-2-[[2-(tetradecanoylamino)acetyl]amino]propyl] ester Formula: C42H72N2O6 MolecularWeight: 701.03088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C42H72N2O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-33-41(47)49-36-38(42(48)50-35-37-30-26-25-27-31-37)44-40(46)34-43-39(45)32-28-23-21-19-17-14-12-10-8-6-4-2/h25-27,30-31,38H,3-24,28-29,32-36H2,1-2H3,(H,43,45)(H,44,46)/t38-/m0/s1