canSAR2059782
FEATURES
Loading...
NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
    InChI
    InChI=1S/C46H83N17O13S/c1-22(2)20-29(39(70)62-35(24(5)64)42(73)56-26(15-19-77-6)37(68)58-28(44(75)76)11-8-17-55-46(52)53)59-38(69)30(21-33(49)66)60-41(72)34(23(3)4)61-40(71)31-12-9-18-63(31)43(74)27(10-7-16-54-45(50)51)57-36(67)25(47)13-14-32(48)65/h22-31,34-35,64H,7-21,47H2,1-6H3,(H2,48,65)(H2,49,66)(H,56,73)(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,71)(H,62,70)(H,75,76)(H4,50,51,54)(H4,52,53,55)/t24-,25+,26+,27+,28+,29+,30+,31+,34+,35+/m1/s1
    MOLECULAR FORMULA
    C46H83N17O13S
    CROSS REFERENCES
    Loading...
    canSAR2059782
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1113.61
    AlogP-5.71
    HBond donors23
    HBond acceptors30
    Atoms160
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059782.