4-(1-phenylethyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(1-phenylethyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(1-phenylethyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-mercapto-1-oxopropyl)-4-(1-phenylethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(1-phenylethyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-mercaptopropanoyl)-4-(1-phenylethyl)proline Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-11(12-5-3-2-4-6-12)13-9-14(16(19)20)17(10-13)15(18)7-8-21/h2-6,11,13-14,21H,7-10H2,1H3,(H,19,20)