tert-butyl (2S,3S,5R)-2,5-bis(2-phenylmethoxyethyl)-3-phenylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S,5R)-2,5-bis(2-phenylmethoxyethyl)-3-phenylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3S,5R)-2,5-bis(2-benzyloxyethyl)-3-phenylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,3S,5R)-2,5-bis(2-phenylmethoxyethyl)-3-(phenylthio)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,5R)-2,5-bis(2-phenylmethoxyethyl)-3-phenylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,3S,5R)-2,5-bis(2-benzoxyethyl)-3-(phenylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C33H41NO4S MolecularWeight: 547.74794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(C1CCOCC2=CC=CC=C2)SC3=CC=CC=C3)CCOCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](C[C@@H]([C@@H]1CCOCC2=CC=CC=C2)SC3=CC=CC=C3)CCOCC4=CC=CC=C4

InChI

InChI=1S/C33H41NO4S/c1-33(2,3)38-32(35)34-28(19-21-36-24-26-13-7-4-8-14-26)23-31(39-29-17-11-6-12-18-29)30(34)20-22-37-25-27-15-9-5-10-16-27/h4-18,28,30-31H,19-25H2,1-3H3/t28-,30+,31+/m1/s1