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

Systemtic Name: 1-[2-methyl-3-(phenylmethylsulfanyl)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzylsulfanyl-2-methyl-propanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-methyl-1-oxo-3-(phenylmethylthio)propyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzylsulfanyl-2-methylpropanoyl)-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzylthio)-2-methyl-propanoyl]-4-(phenylthio)proline Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(CSCC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C22H25NO3S2/c1-16(14-27-15-17-8-4-2-5-9-17)21(24)23-13-19(12-20(23)22(25)26)28-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,25,26)