(phenylmethyl) 2-[3-[3-(hexadecanoylamino)octadecanoylamino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[3-[3-(hexadecanoylamino)octadecanoylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[3-[3-(hexadecanoylamino)octadecanoylamino]propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[1-oxo-3-[[1-oxo-3-(1-oxohexadecylamino)octadecyl]amino]propyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[3-(hexadecanoylamino)octadecanoylamino]propanoylamino]-3-phenylpropanoate Traditional Name: 2-[3-(3-palmitamidooctadecanoylamino)propanoylamino]-3-phenyl-propionic acid benzyl ester Formula: C53H87N3O5 MolecularWeight: 846.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NCCC(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NCCC(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C53H87N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-39-48(55-50(57)40-34-26-24-22-20-18-16-14-12-10-8-6-4-2)44-52(59)54-42-41-51(58)56-49(43-46-35-29-27-30-36-46)53(60)61-45-47-37-31-28-32-38-47/h27-32,35-38,48-49H,3-26,33-34,39-45H2,1-2H3,(H,54,59)(H,55,57)(H,56,58)