canSAR824133
FEATURES
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NAMES
    SMILES
    C[C@@H](c1c[nH]c2ccccc12)[C@H](N)C(=O)N[C@H]1CSSC(C)(C)[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
    InChI
    InChI=1S/C54H72N14O11S2/c1-26(34-24-61-36-14-9-7-12-33(34)36)41(55)50(77)65-40-25-80-81-54(4,5)44(52(79)66-42(27(2)69)45(56)72)68-51(78)43(28(3)70)67-46(73)37(15-10-20-59-53(57)58)62-48(75)39(22-30-23-60-35-13-8-6-11-32(30)35)64-47(74)38(63-49(40)76)21-29-16-18-31(71)19-17-29/h6-9,11-14,16-19,23-24,26-28,37-44,60-61,69-71H,10,15,20-22,25,55H2,1-5H3,(H2,56,72)(H,62,75)(H,63,76)(H,64,74)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H4,57,58,59)/t26-,27+,28+,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1
    MOLECULAR FORMULA
    C54H72N14O11S2
    CROSS REFERENCES
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    canSAR824133
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1156.49
    AlogP-0.86
    HBond donors20
    HBond acceptors25
    Atoms153
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824133.