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canSAR828817
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(=O)O)NC1=O
    InChI
    InChI=1S/C32H57N11O10S2/c1-14(2)9-19-28(50)40-21(11-23(45)46)30(52)43-24(16(5)44)31(53)41-20(10-15(3)4)29(51)42-22(25(34)47)13-55-54-12-17(33)26(48)38-18(27(49)39-19)7-6-8-37-32(35)36/h14-22,24,44H,6-13,33H2,1-5H3,(H2,34,47)(H,38,48)(H,39,49)(H,40,50)(H,41,53)(H,42,51)(H,43,52)(H,45,46)(H4,35,36,37)/t16-,17-,18-,19+,20-,21-,22-,24+/m1/s1
    MOLECULAR FORMULA
    C32H57N11O10S2
    CROSS REFERENCES
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    canSAR828817

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 819.37
    AlogP -3.90
    HBond donors 16
    HBond acceptors 21
    Atoms 112
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR828817.