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

Systemtic Name: 1-[2-methyl-3-(2-phenylethanoylsulfanyl)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-methyl-3-(2-phenylacetyl)sulfanyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-methyl-1-oxo-3-[(1-oxo-2-phenylethyl)thio]propyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-methyl-3-(2-phenylacetyl)sulfanylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-methyl-3-[(2-phenylacetyl)thio]propanoyl]-4-(phenylthio)proline Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)CC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)CC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C23H25NO4S2/c1-16(15-29-21(25)12-17-8-4-2-5-9-17)22(26)24-14-19(13-20(24)23(27)28)30-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,27,28)