canSAR737891
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCSC)C(=O)O
    InChI
    InChI=1S/C21H36N6O9S/c1-4-10(2)17(21(35)36)27-15(29)9-24-19(33)13(8-16(30)31)26-20(34)12(7-14(23)28)25-18(32)11(22)5-6-37-3/h10-13,17H,4-9,22H2,1-3H3,(H2,23,28)(H,24,33)(H,25,32)(H,26,34)(H,27,29)(H,30,31)(H,35,36)/t10-,11-,12-,13-,17-/m0/s1
    MOLECULAR FORMULA
    C21H36N6O9S
    CROSS REFERENCES
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    canSAR737891
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight548.23
    AlogP-2.88
    HBond donors10
    HBond acceptors15
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR737891.