canSAR817252
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(N)CO)CSSC[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC1=O
    InChI
    InChI=1S/C99H159N35O30S2/c1-10-48(5)76-95(163)116-39-72(141)117-50(7)79(147)123-59(28-29-69(101)138)86(154)132-67(85(153)115-40-73(142)120-60(33-47(3)4)83(151)113-38-71(140)118-51(8)80(148)127-63(36-70(102)139)90(158)131-66(44-137)93(161)128-62(35-54-23-16-13-17-24-54)89(157)122-56(78(103)146)25-18-30-110-97(104)105)45-165-166-46-68(121-74(143)41-114-84(152)61(34-53-21-14-12-15-22-53)126-81(149)52(9)119-92(160)65(43-136)130-82(150)55(100)42-135)94(162)125-58(27-20-32-112-99(108)109)88(156)134-77(49(6)11-2)96(164)129-64(37-75(144)145)91(159)124-57(87(155)133-76)26-19-31-111-98(106)107/h12-17,21-24,47-52,55-68,76-77,135-137H,10-11,18-20,25-46,100H2,1-9H3,(H2,101,138)(H2,102,139)(H2,103,146)(H,113,151)(H,114,152)(H,115,153)(H,116,163)(H,117,141)(H,118,140)(H,119,160)(H,120,142)(H,121,143)(H,122,157)(H,123,147)(H,124,159)(H,125,162)(H,126,149)(H,127,148)(H,128,161)(H,129,164)(H,130,150)(H,131,158)(H,132,154)(H,133,155)(H,134,156)(H,144,145)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t48-,49-,50+,51?,52?,55?,56-,57-,58+,59-,60-,61?,62-,63-,64+,65?,66-,67+,68+,76+,77-/m0/s1
    MOLECULAR FORMULA
    C99H159N35O30S2
    CROSS REFERENCES
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    canSAR817252
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2382.14
    AlogP-16.18
    HBond donors46
    HBond acceptors65
    Atoms325
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR817252.