(2R,3R)-5-oxidanylidene-3-phenethylsulfanyl-2-phenyl-1-(phenylmethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (2R,3R)-5-oxidanylidene-3-phenethylsulfanyl-2-phenyl-1-(phenylmethyl)pyrrolidine-3-carboxylic acid Openeye Name: (2R,3R)-1-benzyl-5-oxo-3-phenethylsulfanyl-2-phenyl-pyrrolidine-3-carboxylic acid CAS Name: (2R,3R)-5-oxo-3-(phenethylthio)-2-phenyl-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R)-1-benzyl-5-oxo-3-phenethylsulfanyl-2-phenylpyrrolidine-3-carboxylic acid Traditional Name: (2R,3R)-1-benzyl-5-keto-3-(phenethylthio)-2-phenyl-pyrrolidine-3-carboxylic acid Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(C1(C(=O)O)SCCC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N([C@@H]([C@]1(C(=O)O)SCCC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H25NO3S/c28-23-18-26(25(29)30,31-17-16-20-10-4-1-5-11-20)24(22-14-8-3-9-15-22)27(23)19-21-12-6-2-7-13-21/h1-15,24H,16-19H2,(H,29,30)/t24-,26-/m1/s1