canSAR818412
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC1=O
    InChI
    InChI=1S/C29H51N9O11S2/c1-13(2)8-17-26(46)37-20(23(32)43)12-51-50-11-15(31)24(44)33-16(6-4-5-7-30)25(45)36-19(10-39)28(48)34-18(9-21(41)42)27(47)38-22(14(3)40)29(49)35-17/h13-20,22,39-40H,4-12,30-31H2,1-3H3,(H2,32,43)(H,33,44)(H,34,48)(H,35,49)(H,36,45)(H,37,46)(H,38,47)(H,41,42)/t14-,15-,16-,17-,18-,19+,20-,22+/m1/s1
    MOLECULAR FORMULA
    C29H51N9O11S2
    CROSS REFERENCES
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    canSAR818412
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight765.31
    AlogP-4.87
    HBond donors15
    HBond acceptors20
    Atoms102
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818412.