canSAR739341
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CN)[C@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C
    InChI
    InChI=1S/C106H173N29O31/c1-15-55(11)82(100(161)129-74(50-136)96(157)130-81(54(9)10)98(159)121-65(35-36-79(143)144)89(150)125-70(46-76(109)140)93(154)123-67(42-52(5)6)94(155)133-84(57(13)137)101(162)127-69(45-60-31-33-61(139)34-32-60)92(153)122-66(41-51(3)4)90(151)128-73(104(165)166)47-77(110)141)131-95(156)71(48-80(145)146)126-87(148)62(27-20-21-37-107)118-86(147)63(28-22-38-115-105(111)112)119-91(152)68(44-59-25-18-17-19-26-59)124-88(149)64(29-23-39-116-106(113)114)120-99(160)83(56(12)16-2)132-102(163)85(58(14)138)134-97(158)75-30-24-40-135(75)103(164)72(43-53(7)8)117-78(142)49-108/h17-19,25-26,31-34,51-58,62-75,81-85,136-139H,15-16,20-24,27-30,35-50,107-108H2,1-14H3,(H2,109,140)(H2,110,141)(H,117,142)(H,118,147)(H,119,152)(H,120,160)(H,121,159)(H,122,153)(H,123,154)(H,124,149)(H,125,150)(H,126,148)(H,127,162)(H,128,151)(H,129,161)(H,130,157)(H,131,156)(H,132,163)(H,133,155)(H,134,158)(H,143,144)(H,145,146)(H,165,166)(H4,111,112,115)(H4,113,114,116)/t55-,56-,57+,58-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-,82-,83-,84-,85-/m0/s1
    MOLECULAR FORMULA
    C106H173N29O31
    CROSS REFERENCES
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    canSAR739341
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2348.29
    AlogP-8.68
    HBond donors41
    HBond acceptors60
    Atoms339
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR739341.