canSAR542832
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O.Cl
    InChI
    InChI=1S/C82H136N28O21.ClH/c1-43(2)35-56(74(126)99-46(6)68(120)105-58(38-61(87)114)75(127)101-51(66(88)118)29-30-60(86)113)106-71(123)52(25-15-17-31-83)104-73(125)55(28-20-34-94-81(91)92)108-79(131)82(8,44(3)4)110-77(129)59(42-111)107-72(124)53(26-16-18-32-84)103-70(122)54(27-19-33-93-80(89)90)102-67(119)45(5)98-63(116)41-97-78(130)65(47(7)112)109-76(128)57(37-49-23-13-10-14-24-49)100-64(117)40-95-62(115)39-96-69(121)50(85)36-48-21-11-9-12-22-48;/h9-14,21-24,43-47,50-59,65,111-112H,15-20,25-42,83-85H2,1-8H3,(H2,86,113)(H2,87,114)(H2,88,118)(H,95,115)(H,96,121)(H,97,130)(H,98,116)(H,99,126)(H,100,117)(H,101,127)(H,102,119)(H,103,122)(H,104,125)(H,105,120)(H,106,123)(H,107,124)(H,108,131)(H,109,128)(H,110,129)(H4,89,90,93)(H4,91,92,94);1H/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-,82?;/m0./s1
    MOLECULAR FORMULA
    C82H137ClN28O21
    CROSS REFERENCES
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    canSAR542832
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1885.02
    AlogP-10.21
    HBond donors38
    HBond acceptors49
    Atoms269
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR542832.