canSAR1502951
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@H](NCC(S)C([NH3+])CCS(N)(=O)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
    InChI
    InChI=1S/C15H30N4O7S2/c1-3-8(2)13(14(22)19-10(15(23)24)6-12(20)21)18-7-11(27)9(16)4-5-28(17,25)26/h8-11,13,18,27H,3-7,16H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)(H2,17,25,26)/p+1/t8-,9?,10+,11?,13+/m1/s1
    MOLECULAR FORMULA
    C15H31N4O7S2+
    CROSS REFERENCES
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    canSAR1502951
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight443.16
    AlogP-2.38
    HBond donors9
    HBond acceptors11
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1502951.