tert-butyl (2R,3S)-2-(2-naphthalen-1-ylethylcarbamoyl)-3-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S)-2-(2-naphthalen-1-ylethylcarbamoyl)-3-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3S)-2-[2-(1-naphthyl)ethylcarbamoyl]-3-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2R,3S)-2-[[2-(1-naphthalenyl)ethylamino]-oxomethyl]-3-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-2-(2-naphthalen-1-ylethylcarbamoyl)-3-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2R,3S)-2-[2-(1-naphthyl)ethylcarbamoyl]-3-(tritylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C41H42N2O3S MolecularWeight: 642.84878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1C(=O)NCCC2=CC=CC3=CC=CC=C32)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]1C(=O)NCCC2=CC=CC3=CC=CC=C32)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H42N2O3S/c1-40(2,3)46-39(45)43-29-27-36(37(43)38(44)42-28-26-31-18-15-17-30-16-13-14-25-35(30)31)47-41(32-19-7-4-8-20-32,33-21-9-5-10-22-33)34-23-11-6-12-24-34/h4-25,36-37H,26-29H2,1-3H3,(H,42,44)/t36-,37-/m0/s1