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  • [Synonyms]
    Z-Thiopro-thiazolidine
    Knp 057
    Knp-057
    3-Thiazolidinecarboxylic acid, 4-(3-thiazolidinylcarbonyl)-, phenylmethyl ester, (R)-
    118059-38-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight338.44502 [g/mol]
    Molecular FormulaC15H18N2O3S2
    XLogP2
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count4
    Exact Mass338.075884
    MonoIsotopic Mass338.075884
    Topological Polar Surface Area49.9
    Heavy Atom Count22
    Formal Charge0
    Complexity416
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: phenylmethyl
    (4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidine-3-carboxylate
    Canonical SMILES: C1CSCN1C(=O)C2CSCN2C(=O)OCC3=CC=CC=C3
    Isomeric SMILES: C1CSCN1C(=O)[C@@H]2CSCN2C(=O)OCC3=CC=CC=C3
    InChI: InChI=1/C15H18N2O3S2/c18-14(16-6-7-21-10-16)13-9-22-11-17(13)15(19)20-8-
    12-4-2-1-3-5-12/h1-5,13H,6-11H2/t13-/m0/s1



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