canSAR1087691
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O
    InChI
    InChI=1S/C55H77N13O16S2/c1-30(2)20-37(50(79)62-35(47(57)76)16-18-85-4)61-43(69)28-59-54(83)42(22-32-14-10-7-11-15-32)68(3)55(84)41(21-31-12-8-6-9-13-31)67-53(82)40(26-46(74)75)66-52(81)39(25-45(72)73)65-51(80)38(23-33-27-58-29-60-33)64-49(78)36(17-19-86-5)63-48(77)34(56)24-44(70)71/h6-15,27,29-30,34-42H,16-26,28,56H2,1-5H3,(H2,57,76)(H,58,60)(H,59,83)(H,61,69)(H,62,79)(H,63,77)(H,64,78)(H,65,80)(H,66,81)(H,67,82)(H,70,71)(H,72,73)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C55H77N13O16S2
    CROSS REFERENCES
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    canSAR1087691
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1239.51
    AlogP-2.44
    HBond donors16
    HBond acceptors29
    Atoms163
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087691.