tert-butyl 3-[2-(hexadecanoylamino)-3-(triphenylmethyl)oxy-propyl]sulfanylpropanoate

Systemtic Name: tert-butyl 3-[2-(hexadecanoylamino)-3-(triphenylmethyl)oxy-propyl]sulfanylpropanoate Openeye Name: tert-butyl 3-[2-(hexadecanoylamino)-3-trityloxy-propyl]sulfanylpropanoate CAS Name: 3-[[2-(1-oxohexadecylamino)-3-(triphenylmethyl)oxypropyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(hexadecanoylamino)-3-trityloxypropyl]sulfanylpropanoate Traditional Name: 3-[(2-palmitamido-3-trityloxy-propyl)thio]propionic acid tert-butyl ester Formula: C45H65NO4S MolecularWeight: 716.0669

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CSCCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CSCCC(=O)OC(C)(C)C

InChI

InChI=1S/C45H65NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-26-33-42(47)46-41(37-51-35-34-43(48)50-44(2,3)4)36-49-45(38-27-20-17-21-28-38,39-29-22-18-23-30-39)40-31-24-19-25-32-40/h17-25,27-32,41H,5-16,26,33-37H2,1-4H3,(H,46,47)