1-(3-phenethylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-phenethylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-phenethylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-3-(phenethylthio)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-phenethylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(phenethylthio)propanoyl]proline Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCSCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c18-15(17-10-4-7-14(17)16(19)20)9-12-21-11-8-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,19,20)