1-[6-(2-carboxyoxypyrrolidin-1-yl)-2,5-dimethyl-6-oxidanylidene-4,5-bis(sulfanyl)hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-(2-carboxyoxypyrrolidin-1-yl)-2,5-dimethyl-6-oxidanylidene-4,5-bis(sulfanyl)hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-(2-carboxyoxypyrrolidin-1-yl)-2,5-dimethyl-6-oxo-4,5-bis(sulfanyl)hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-(2-carboxyoxy-1-pyrrolidinyl)-4,5-dimercapto-2,5-dimethyl-1,6-dioxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-(2-carboxyoxypyrrolidin-1-yl)-2,5-dimethyl-6-oxo-4,5-bis(sulfanyl)hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-(2-carboxyoxypyrrolidino)-6-keto-4,5-dimercapto-2,5-dimethyl-hexanoyl]proline Formula: C18H28N2O7S2 MolecularWeight: 448.55412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C)(C(=O)N1CCCC1OC(=O)O)S)S)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CC(C(C)(C(=O)N1CCCC1OC(=O)O)S)S)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C18H28N2O7S2/c1-10(14(21)19-7-3-5-11(19)15(22)23)9-12(28)18(2,29)16(24)20-8-4-6-13(20)27-17(25)26/h10-13,28-29H,3-9H2,1-2H3,(H,22,23)(H,25,26)