(phenylmethyl) 3-[[(2S)-2,6-bis(hexadecanoylamino)hexanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[(2S)-2,6-bis(hexadecanoylamino)hexanoyl]amino]propanoate Openeye Name: benzyl 3-[[(2S)-2,6-bis(hexadecanoylamino)hexanoyl]amino]propanoate CAS Name: 3-[[(2S)-1-oxo-2,6-bis(1-oxohexadecylamino)hexyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(2S)-2,6-bis(hexadecanoylamino)hexanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2,6-dipalmitamidohexanoyl]amino]propionic acid benzyl ester Formula: C48H85N3O5 MolecularWeight: 784.2056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)NCCC(=O)OCC1=CC=CC=C1)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)NCCC(=O)OCC1=CC=CC=C1)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C48H85N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-37-45(52)49-40-33-32-36-44(48(55)50-41-39-47(54)56-42-43-34-28-27-29-35-43)51-46(53)38-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,34-35,44H,3-26,30-33,36-42H2,1-2H3,(H,49,52)(H,50,55)(H,51,53)/t44-/m0/s1