canSAR824012
FEATURES
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NAMES
    SMILES
    CCNCC[C@@H]1NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC1=O
    InChI
    InChI=1S/C57H100N16O13/c1-8-62-28-22-41-53(82)72-46(34(6)74)56(85)63-29-23-42(68-49(78)40(21-27-61)69-57(86)47(35(7)75)73-52(81)37(18-24-58)64-45(76)17-13-12-14-32(2)3)51(80)65-39(20-26-60)50(79)71-44(31-36-15-10-9-11-16-36)55(84)70-43(30-33(4)5)54(83)66-38(19-25-59)48(77)67-41/h9-11,15-16,32-35,37-44,46-47,62,74-75H,8,12-14,17-31,58-61H2,1-7H3,(H,63,85)(H,64,76)(H,65,80)(H,66,83)(H,67,77)(H,68,78)(H,69,86)(H,70,84)(H,71,79)(H,72,82)(H,73,81)/t34-,35-,37+,38+,39+,40+,41+,42+,43+,44-,46+,47+/m1/s1
    MOLECULAR FORMULA
    C57H100N16O13
    CROSS REFERENCES
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    canSAR824012
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1216.77
    AlogP-4.98
    HBond donors22
    HBond acceptors29
    Atoms186
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824012.