canSAR54563
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)C(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O
    InChI
    InChI=1S/C38H56N8O16/c1-17(2)13-23(43-34(56)28(18(3)4)46-33(55)25(16-39)45-36(58)38(61)62)32(54)42-22(14-20-9-7-6-8-10-20)29(51)35(57)44-24(15-27(49)50)31(53)40-19(5)30(52)41-21(37(59)60)11-12-26(47)48/h6-10,17-19,21-25,28-29,51H,11-16,39H2,1-5H3,(H,40,53)(H,41,52)(H,42,54)(H,43,56)(H,44,57)(H,45,58)(H,46,55)(H,47,48)(H,49,50)(H,59,60)(H,61,62)/t19-,21-,22-,23-,24-,25-,28-,29+/m0/s1
    MOLECULAR FORMULA
    C38H56N8O16
    CROSS REFERENCES
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    canSAR54563
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight880.38
    AlogP-3.83
    HBond donors14
    HBond acceptors24
    Atoms118
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR54563.