canSAR819313
FEATURES
Loading...
NAMES
    SMILES
    CC(C)CCCCC(=O)N[C@@H](CCNC(=O)[C@@H](N)CC(CCN)C(=O)OCc1ccccc1)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](CCN)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/C69H114N18O16/c1-39(2)15-13-14-20-55(90)78-51(26-33-76-58(91)46(75)37-45(21-28-70)69(102)103-38-44-18-11-8-12-19-44)64(97)87-57(42(6)89)68(101)83-49(24-31-73)60(93)82-52-27-34-77-67(100)56(41(5)88)86-63(96)50(25-32-74)80-59(92)47(22-29-71)81-65(98)53(35-40(3)4)84-66(99)54(36-43-16-9-7-10-17-43)85-61(94)48(23-30-72)79-62(52)95/h7-12,16-19,39-42,45-54,56-57,88-89H,13-15,20-38,70-75H2,1-6H3,(H,76,91)(H,77,100)(H,78,90)(H,79,95)(H,80,92)(H,81,98)(H,82,93)(H,83,101)(H,84,99)(H,85,94)(H,86,96)(H,87,97)/t41-,42-,45?,46+,47+,48+,49+,50-,51+,52+,53+,54-,56+,57+/m1/s1
    MOLECULAR FORMULA
    C69H114N18O16
    CROSS REFERENCES
    Loading...
    canSAR819313
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1450.87
    AlogP-5.05
    HBond donors26
    HBond acceptors34
    Atoms217
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819313.