1-(3-ethanoylsulfanylpentanoyl)-4-(phenylmethylsulfanyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpentanoyl)-4-(phenylmethylsulfanyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpentanoyl)-4-benzylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopentyl]-4-(phenylmethylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylpentanoyl)-4-benzylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)pentanoyl]-4-(benzylthio)proline Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)N1CC(CC1C(=O)O)SCC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CCC(CC(=O)N1CC(CC1C(=O)O)SCC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C19H25NO4S2/c1-3-15(26-13(2)21)10-18(22)20-11-16(9-17(20)19(23)24)25-12-14-7-5-4-6-8-14/h4-8,15-17H,3,9-12H2,1-2H3,(H,23,24)