1-[1-(phenylcarbamoyl)-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-(phenylcarbamoyl)-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(phenylcarbamoyl)-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-[anilino(oxo)methyl]-4-mercapto-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(phenylcarbamoyl)-4-sulfanylpyrrolidine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-mercapto-1-(phenylcarbamoyl)prolyl]isonipecotic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2C(=O)NC3=CC=CC=C3)S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2C(=O)NC3=CC=CC=C3)S

InChI

InChI=1S/C18H23N3O4S/c22-16(20-8-6-12(7-9-20)17(23)24)15-10-14(26)11-21(15)18(25)19-13-4-2-1-3-5-13/h1-5,12,14-15,26H,6-11H2,(H,19,25)(H,23,24)