canSAR822081
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSCCCCCC(=O)N[C@@H](CCN)C(=O)N1)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O)[C@@H](C)O
    InChI
    InChI=1S/C35H55N9O11S/c1-18(2)27(33(51)43-28(19(3)45)34(52)39-24(30(37)48)16-21-9-11-22(12-10-21)44(54)55)41-35(53)29(20(4)46)42-32(50)25-17-56-15-7-5-6-8-26(47)38-23(13-14-36)31(49)40-25/h9-12,18-20,23-25,27-29,45-46H,5-8,13-17,36H2,1-4H3,(H2,37,48)(H,38,47)(H,39,52)(H,40,49)(H,41,53)(H,42,50)(H,43,51)/t19-,20-,23+,24+,25+,27+,28+,29+/m1/s1
    MOLECULAR FORMULA
    C35H55N9O11S
    CROSS REFERENCES
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    canSAR822081
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight809.37
    AlogP-2.40
    HBond donors12
    HBond acceptors20
    Atoms111
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR822081.