canSAR819276
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
    InChI
    InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)39-26-74-73-25-38(57-44(66)34(52)21-30-16-18-32(64)19-17-30)46(68)56-37(22-29-11-5-4-6-12-29)50(72)61(3)40(23-31-24-54-35-14-8-7-13-33(31)35)48(70)55-36(15-9-10-20-51)45(67)60-42(28(2)63)49(71)58-39/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,70)(H,56,68)(H,57,66)(H,58,71)(H,59,69)(H,60,67)/t27-,28-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
    MOLECULAR FORMULA
    C50H67N11O11S2
    CROSS REFERENCES
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    canSAR819276
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1061.45
    AlogP-1.26
    HBond donors16
    HBond acceptors22
    Atoms141
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819276.