1-[4-[[5-(4-ethoxycarbonylpiperidin-1-yl)carbonylpyrrolidin-3-yl]disulfanyl]pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[[5-(4-ethoxycarbonylpiperidin-1-yl)carbonylpyrrolidin-3-yl]disulfanyl]pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrrolidin-3-yl]disulfanyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[[5-[(4-ethoxycarbonyl-1-piperidinyl)-oxomethyl]-3-pyrrolidinyl]disulfanyl]-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrrolidin-3-yl]disulfanyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[5-(4-carbethoxypiperidine-1-carbonyl)pyrrolidin-3-yl]disulfanyl]prolyl]isonipecotic acid Formula: C24H38N4O6S2 MolecularWeight: 542.71172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC(CN2)SSC3CC(NC3)C(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CC(CN2)SSC3CC(NC3)C(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H38N4O6S2/c1-2-34-24(33)16-5-9-28(10-6-16)22(30)20-12-18(14-26-20)36-35-17-11-19(25-13-17)21(29)27-7-3-15(4-8-27)23(31)32/h15-20,25-26H,2-14H2,1H3,(H,31,32)