canSAR824502
FEATURES
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NAMES
    SMILES
    CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNC(=O)[C@@H](N)CCCN=C(N)N)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
    InChI
    InChI=1S/C61H108N20O14/c1-33(2)13-10-11-17-47(84)72-39(18-24-62)55(90)81-49(36(6)83)60(95)77-42(21-27-65)52(87)75-43-23-30-70-59(94)48(35(5)82)80-56(91)44(22-29-69-50(85)38(66)16-12-28-71-61(67)68)76-51(86)40(19-25-63)74-57(92)45(31-34(3)4)78-58(93)46(32-37-14-8-7-9-15-37)79-53(88)41(20-26-64)73-54(43)89/h7-9,14-15,33-36,38-46,48-49,82-83H,10-13,16-32,62-66H2,1-6H3,(H,69,85)(H,70,94)(H,72,84)(H,73,89)(H,74,92)(H,75,87)(H,76,86)(H,77,95)(H,78,93)(H,79,88)(H,80,91)(H,81,90)(H4,67,68,71)/t35-,36-,38+,39+,40+,41+,42+,43+,44+,45+,46-,48+,49+/m1/s1
    MOLECULAR FORMULA
    C61H108N20O14
    CROSS REFERENCES
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    canSAR824502
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1344.84
    AlogP-7.10
    HBond donors28
    HBond acceptors34
    Atoms203
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824502.