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

Systemtic Name: 1-(1-naphthalen-2-ylcarbonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(naphthalene-2-carbonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-mercapto-1-[2-naphthalenyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(naphthalene-2-carbonyl)-4-sulfanylpyrrolidine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-mercapto-1-(2-naphthoyl)prolyl]isonipecotic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2C(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2C(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C22H24N2O4S/c25-20(17-6-5-14-3-1-2-4-16(14)11-17)24-13-18(29)12-19(24)21(26)23-9-7-15(8-10-23)22(27)28/h1-6,11,15,18-19,29H,7-10,12-13H2,(H,27,28)