canSAR1387552
FEATURES
Loading...
NAMES
    SMILES
    CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CS(C)(=O)=O)[C@H]2SC1.[Na+]
    InChI
    InChI=1S/C13H16N2O8S2.Na/c1-6(16)23-3-7-4-24-12-9(14-8(17)5-25(2,21)22)11(18)15(12)10(7)13(19)20;/h9,12H,3-5H2,1-2H3,(H,14,17)(H,19,20);/q;+1/p-1/t9-,12-;/m1./s1
    MOLECULAR FORMULA
    C13H15N2NaO8S2
    CROSS REFERENCES
    Loading...
    canSAR1387552
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight414.02
    AlogP-6.00
    HBond donors1
    HBond acceptors10
    Atoms41
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387552.