1-tert-butyl-1-[3-[[3-(2-carboxy-3-ethanoylsulfanyl-pyrrolidin-1-yl)-3-oxidanylidene-propyl]disulfanyl]propanoyl]-3-ethanoylsulfanyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-tert-butyl-1-[3-[[3-(2-carboxy-3-ethanoylsulfanyl-pyrrolidin-1-yl)-3-oxidanylidene-propyl]disulfanyl]propanoyl]-3-ethanoylsulfanyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 3-acetylsulfanyl-1-[3-[[3-(3-acetylsulfanyl-2-carboxy-pyrrolidin-1-yl)-3-oxo-propyl]disulfanyl]propanoyl]-1-tert-butyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 3-(acetylthio)-1-[3-[[3-[3-(acetylthio)-2-carboxy-1-pyrrolidinyl]-3-oxopropyl]disulfanyl]-1-oxopropyl]-1-tert-butyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 3-acetylsulfanyl-1-[3-[[3-(3-acetylsulfanyl-2-carboxypyrrolidin-1-yl)-3-oxopropyl]disulfanyl]propanoyl]-1-tert-butylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 3-(acetylthio)-1-[3-[[3-[3-(acetylthio)-2-carboxy-pyrrolidino]-3-keto-propyl]disulfanyl]propanoyl]-1-tert-butyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C24H37N2O8S4+ MolecularWeight: 609.81918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(C1C(=O)O)C(=O)CCSSCCC(=O)[N+]2(CCC(C2C(=O)O)SC(=O)C)C(C)(C)C

Isomeric SMILES

CC(=O)SC1CCN(C1C(=O)O)C(=O)CCSSCCC(=O)[N+]2(CCC(C2C(=O)O)SC(=O)C)C(C)(C)C

InChI

InChI=1S/C24H36N2O8S4/c1-14(27)37-16-6-10-25(20(16)22(31)32)18(29)8-12-35-36-13-9-19(30)26(24(3,4)5)11-7-17(38-15(2)28)21(26)23(33)34/h16-17,20-21H,6-13H2,1-5H3,(H-,31,32,33,34)/p+1