tert-butyl (2R,3R)-2-[(2,2-diphenylethylamino)methyl]-3-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3R)-2-[(2,2-diphenylethylamino)methyl]-3-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3R)-2-[(2,2-diphenylethylamino)methyl]-3-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2R,3R)-2-[(2,2-diphenylethylamino)methyl]-3-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2-[(2,2-diphenylethylamino)methyl]-3-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2R,3R)-2-[(2,2-diphenylethylamino)methyl]-3-(tritylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C43H46N2O2S MolecularWeight: 654.90254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1CNCC(C2=CC=CC=C2)C3=CC=CC=C3)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]([C@H]1CNCC(C2=CC=CC=C2)C3=CC=CC=C3)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C43H46N2O2S/c1-42(2,3)47-41(46)45-30-29-40(39(45)32-44-31-38(33-19-9-4-10-20-33)34-21-11-5-12-22-34)48-43(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37/h4-28,38-40,44H,29-32H2,1-3H3/t39-,40-/m1/s1