canSAR2080208
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC2CCN(C(=N)N)CC2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
    MOLECULAR FORMULA
    C56H84N16O11S2
    CROSS REFERENCES
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    canSAR2080208
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1220.59
    AlogP-1.51
    HBond donors18
    HBond acceptors27
    Atoms169
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080208.