1-[1-(4-tert-butylphenyl)carbonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-(4-tert-butylphenyl)carbonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(4-tert-butylbenzoyl)-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-[(4-tert-butylphenyl)-oxomethyl]-4-mercapto-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-tert-butylbenzoyl)-4-sulfanylpyrrolidine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(4-tert-butylbenzoyl)-4-mercapto-prolyl]isonipecotic acid Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCC(CC3)C(=O)O)S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCC(CC3)C(=O)O)S

InChI

InChI=1S/C22H30N2O4S/c1-22(2,3)16-6-4-14(5-7-16)19(25)24-13-17(29)12-18(24)20(26)23-10-8-15(9-11-23)21(27)28/h4-7,15,17-18,29H,8-13H2,1-3H3,(H,27,28)