canSAR825798
FEATURES
Loading...
NAMES
    SMILES
    C[C@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C55H68N12O11S2/c1-31(68)46-53(75)64-42(25-33-14-6-3-7-15-33)50(72)65-45(54(76)77)30-80-79-29-44(66-55(58)78)52(74)62-40(24-32-12-4-2-5-13-32)48(70)61-41(26-34-19-21-36(57)22-20-34)49(71)63-43(27-35-28-59-38-17-9-8-16-37(35)38)51(73)60-39(47(69)67-46)18-10-11-23-56/h2-9,12-17,19-22,28,31,39-46,59,68H,10-11,18,23-27,29-30,56-57H2,1H3,(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,67,69)(H,76,77)(H3,58,66,78)/t31-,39-,40+,41-,42-,43-,44+,45-,46-/m0/s1
    MOLECULAR FORMULA
    C55H68N12O11S2
    CROSS REFERENCES
    Loading...
    canSAR825798
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1136.46
    AlogP0.44
    HBond donors17
    HBond acceptors23
    Atoms148
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR825798.