1-(4-tert-butylphenyl)carbonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)carbonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-tert-butylbenzoyl)-4-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-4-mercapto-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-tert-butylbenzoyl)-4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-(4-tert-butylbenzoyl)-4-mercapto-proline Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)O)S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)O)S

InChI

InChI=1S/C16H21NO3S/c1-16(2,3)11-6-4-10(5-7-11)14(18)17-9-12(21)8-13(17)15(19)20/h4-7,12-13,21H,8-9H2,1-3H3,(H,19,20)