canSAR543324
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](COS(=O)(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C46H59N9O16S4/c1-27(56)50-37(22-29-13-15-31(16-14-29)71-75(67,68)69)44(61)52-34(17-19-72-2)42(59)49-25-40(57)51-38(23-30-24-48-33-12-8-7-11-32(30)33)45(62)53-35(18-20-73-3)43(60)55-39(26-70-74(64,65)66)46(63)54-36(41(47)58)21-28-9-5-4-6-10-28/h4-16,24,34-39,48H,17-23,25-26H2,1-3H3,(H2,47,58)(H,49,59)(H,50,56)(H,51,57)(H,52,61)(H,53,62)(H,54,63)(H,55,60)(H,64,65,66)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
    MOLECULAR FORMULA
    C46H59N9O16S4
    CROSS REFERENCES
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    canSAR543324
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1121.30
    AlogP-0.77
    HBond donors12
    HBond acceptors25
    Atoms134
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR543324.