2051474 logo
canSAR2051474
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
    InChI
    InChI=1S/C39H53N7O11S/c1-23(2)18-27(34(51)43-26(33(40)50)16-17-58-5)42-31(47)22-41-36(53)30(20-25-14-10-7-11-15-25)46(3)38(55)29(19-24-12-8-6-9-13-24)45-35(52)28(21-32(48)49)44-37(54)39(56)57-4/h6-15,23,26-30H,16-22H2,1-5H3,(H2,40,50)(H,41,53)(H,42,47)(H,43,51)(H,44,54)(H,45,52)(H,48,49)/t26-,27-,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C39H53N7O11S
    CROSS REFERENCES
    2051474 logo

    canSAR2051474

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 827.35
    AlogP -0.71
    HBond donors 8
    HBond acceptors 18
    Atoms 111
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2051474.