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    (2S)-4 Oxo-2-(3-thiozolidinycarbonyl)-1-pyrrolidine carboxylic acid tert-butyl ester

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 401564-36-1, (2s)-4-oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester, Tert-butyl (2s)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate, 1-pyrrolidinecarboxylic acid, 4-oxo-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl ester, (2s)-, (2s)-4-oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester, Mfcd22665915
    Molecular Formula
    C13H20N2O4S
    Molecular Weight
    300.38  g/mol
    InChI Key
    ULXKZRPRLJGLDM-JTQLQIEISA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl (2S)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C13H20N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h10H,4-8H2,1-3H3/t10-/m0/s1
    2.1.3 InChI Key
    ULXKZRPRLJGLDM-JTQLQIEISA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)N2CCSC2
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N2CCSC2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 401564-36-1

    2. (2s)-4-oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic Acid Tert-butyl Ester

    3. Tert-butyl (2s)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

    4. 1-pyrrolidinecarboxylic Acid, 4-oxo-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl Ester, (2s)-

    5. (2s)-4-oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic Acid 1,1-dimethylethyl Ester

    6. Mfcd22665915

    7. Amy407

    8. Schembl1335681

    9. (r)-tert-butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

    10. 1415908-67-6

    11. Cs-m1874

    12. 3-((s)-1-tert-butoxycarbonyl-4-oxo-2-pyrrolidinylcarbonyl)-1,3-thiazolidine

    13. Akos024464793

    14. Zinc115890614

    15. Ds-8331

    16. Ac-28917

    17. A854792

    18. (s)-tert-butyl 3-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

    19. (s)-tert-butyl4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

    20. Tert-butyl (s)-4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

    21. (2s)-4-oxo-2-(thiazolidine-3-carbonyl)-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

    22. (2s)-4-oxo-2-(thiazolidine-3-ylcarbonyl)pyrrolidine-1-carboxylic Acid Tert-butyl Ester

    23. 3-[(2s)-1-(1,1-dimethylethyloxycarbonyl)-4-oxopyrrolidin-2-ylcarbonyl]thiazolidine

    24. 1-pyrrolidinecarboxylic Acid,4-oxo-2-(3-thiazolidinylcarbonyl)-,1,1-dimethylethyl Ester,(2s)-

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 300.38 g/mol
    Molecular Formula C13H20N2O4S
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass300.11437830 g/mol
    Monoisotopic Mass300.11437830 g/mol
    Topological Polar Surface Area92.2 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity433
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1