canSAR819360
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@H]1C[C@H]2CCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(N)=O)N2C1=O
    InChI
    InChI=1S/C55H78N12O14/c1-28(2)43(52(78)58-27-41(69)60-38-25-34-19-13-20-40(67(34)54(38)80)51(77)59-30(5)47(73)61-36(46(57)72)24-33-17-11-8-12-18-33)63-49(75)37(26-42(70)71)62-53(79)45(31(6)68)65-50(76)39-21-14-22-66(39)55(81)44(29(3)4)64-48(74)35(56)23-32-15-9-7-10-16-32/h7-12,15-18,28-31,34-40,43-45,68H,13-14,19-27,56H2,1-6H3,(H2,57,72)(H,58,78)(H,59,77)(H,60,69)(H,61,73)(H,62,79)(H,63,75)(H,64,74)(H,65,76)(H,70,71)/t30-,31+,34+,35-,36-,37-,38-,39-,40-,43-,44-,45-/m0/s1
    MOLECULAR FORMULA
    C55H78N12O14
    CROSS REFERENCES
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    canSAR819360
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1130.58
    AlogP-2.87
    HBond donors14
    HBond acceptors26
    Atoms159
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819360.