1-[2-[[2-(4-carboxypiperidin-1-yl)carbonylphenyl]disulfanyl]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[2-(4-carboxypiperidin-1-yl)carbonylphenyl]disulfanyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-[[2-(4-carboxypiperidine-1-carbonyl)phenyl]disulfanyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-[[2-[(4-carboxy-1-piperidinyl)-oxomethyl]phenyl]disulfanyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[2-(4-carboxypiperidine-1-carbonyl)phenyl]disulfanyl]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[2-(4-carboxypiperidine-1-carbonyl)phenyl]disulfanyl]benzoyl]isonipecotic acid Formula: C26H28N2O6S2 MolecularWeight: 528.64032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H28N2O6S2/c29-23(27-13-9-17(10-14-27)25(31)32)19-5-1-3-7-21(19)35-36-22-8-4-2-6-20(22)24(30)28-15-11-18(12-16-28)26(33)34/h1-8,17-18H,9-16H2,(H,31,32)(H,33,34)