canSAR1503149
FEATURES
Loading...
NAMES
    SMILES
    CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C46H67N15O9S3/c1-26(62)54-35-25-73-72-24-34(37(47)63)60-40(66)31(21-27-11-4-2-5-12-27)57-38(64)29(15-8-18-52-45(48)49)55-41(67)33(23-71)59-39(65)30(16-9-19-53-46(50)51)56-43(69)36-17-10-20-61(36)44(70)32(58-42(35)68)22-28-13-6-3-7-14-28/h2-7,11-14,29-36,71H,8-10,15-25H2,1H3,(H2,47,63)(H,54,62)(H,55,67)(H,56,69)(H,57,64)(H,58,68)(H,59,65)(H,60,66)(H4,48,49,52)(H4,50,51,53)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C46H67N15O9S3
    CROSS REFERENCES
    Loading...
    canSAR1503149
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1069.44
    AlogP-2.79
    HBond donors17
    HBond acceptors24
    Atoms140
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503149.