canSAR824551
FEATURES
Loading...
NAMES
    SMILES
    C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)C(CO)NC(=O)C/N=C(\S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(=O)O
    InChI
    InChI=1S/C77H86N14O21S3/c1-38(93)64-73(107)89-59(72(106)91-65(39(2)94)74(108)109)37-115-114-36-58(71(105)86-55(27-41-15-18-44(95)19-16-41)69(103)87-56(28-42-32-79-52-13-7-6-12-47(42)52)70(104)85-53(67(101)90-64)14-8-9-25-78)88-68(102)54(26-40-10-4-3-5-11-40)83-62(98)33-80-66(100)57(35-92)84-63(99)34-81-76(113)82-43-17-22-49-48(29-43)75(110)112-77(49)50-23-20-45(96)30-60(50)111-61-31-46(97)21-24-51(61)77/h3-7,10-13,15-24,29-32,38-39,53-59,64-65,79,92-97H,8-9,14,25-28,33-37,78H2,1-2H3,(H,80,100)(H,83,98)(H,84,99)(H,85,104)(H,86,105)(H,87,103)(H,88,102)(H,89,107)(H,90,101)(H,91,106)(H,108,109)(H2,81,82,113)/t38-,39-,53+,54-,55+,56-,57?,58+,59-,64-,65+/m1/s1
    MOLECULAR FORMULA
    C77H86N14O21S3
    CROSS REFERENCES
    Loading...
    canSAR824551
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1638.53
    AlogP0.12
    HBond donors21
    HBond acceptors35
    Atoms201
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824551.