canSAR821918
FEATURES
Loading...
NAMES
    SMILES
    CC(C)NC(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC(=O)[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC1=O
    InChI
    InChI=1S/C36H50N12O16S2/c1-15(2)41-36(62)46-22-14-66-65-13-21(30(38)56)45-33(59)19(8-26(37)51)44-35(61)24-7-17(49)12-47(24)28(53)11-40-31(57)18(5-16-3-4-25(50)23(6-16)48(63)64)42-27(52)10-39-32(58)20(9-29(54)55)43-34(22)60/h3-4,6,15,17-22,24,49-50H,5,7-14H2,1-2H3,(H2,37,51)(H2,38,56)(H,39,58)(H,40,57)(H,42,52)(H,43,60)(H,44,61)(H,45,59)(H,54,55)(H2,41,46,62)/t17-,18+,19+,20-,21-,22-,24+/m1/s1
    MOLECULAR FORMULA
    C36H50N12O16S2
    CROSS REFERENCES
    Loading...
    canSAR821918
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight970.29
    AlogP-5.72
    HBond donors15
    HBond acceptors28
    Atoms116
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR821918.