calcium 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: calcium 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: calcium 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: calcium 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: calcium 1-(3-benzoylsulfanyl-2-methylpropanoyl)-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: calcium 1-[3-(benzoylthio)-2-methyl-propanoyl]-4-(phenylthio)proline Formula: C22H23CaNO4S2+2 MolecularWeight: 469.63032

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3.[Ca+2]

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3.[Ca+2]

InChI

InChI=1S/C22H23NO4S2.Ca/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17;/h2-11,15,18-19H,12-14H2,1H3,(H,25,26);/q;+2