1-(1-phenylmethoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(1-phenylmethoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-benzyloxycarbonyl-4-sulfanyl-pyrrolidine-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(4-mercapto-1-phenylmethoxycarbonyl-2-pyrrolidinyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-phenylmethoxycarbonyl-4-sulfanylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1-carbobenzoxy-4-mercapto-prolyl)isonipecotic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)S

InChI

InChI=1S/C19H24N2O5S/c22-17(20-8-6-14(7-9-20)18(23)24)16-10-15(27)11-21(16)19(25)26-12-13-4-2-1-3-5-13/h1-5,14-16,27H,6-12H2,(H,23,24)