(2S,4R)-1-(3-ethanoylsulfanylpropanoyl)-4-naphthalen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-(3-ethanoylsulfanylpropanoyl)-4-naphthalen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(3-acetylsulfanylpropanoyl)-4-(2-naphthyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[3-(acetylthio)-1-oxopropyl]-4-(2-naphthalenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(3-acetylsulfanylpropanoyl)-4-naphthalen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-[3-(acetylthio)propanoyl]-4-(2-naphthyl)proline Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CC(CC1C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(=O)SCCC(=O)N1C[C@H](C[C@H]1C(=O)O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21NO4S/c1-13(22)26-9-8-19(23)21-12-17(11-18(21)20(24)25)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,17-18H,8-9,11-12H2,1H3,(H,24,25)/t17-,18-/m0/s1