1-[1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(3-benzoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-(3-benzoylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[3-(benzoylthio)-2-methyl-propanoyl]prolyl]proline Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-14(13-29-21(28)15-7-3-2-4-8-15)18(24)22-11-5-9-16(22)19(25)23-12-6-10-17(23)20(26)27/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,26,27)