canSAR1932003
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](CC(=O)O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)CSSC[C@H](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)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O
    InChI
    InChI=1S/C98H157N35O31S2/c1-8-48(5)76-94(163)116-38-71(141)117-50(7)79(148)122-57(26-27-68(100)138)84(153)129-63(42-135)83(152)115-39-73(143)119-58(31-47(3)4)81(150)114-40-74(144)120-66(92(161)126-61(34-69(101)139)88(157)130-65(44-137)90(159)125-60(33-52-21-14-11-15-22-52)87(156)121-54(78(102)147)23-16-28-109-96(103)104)45-165-166-46-67(131-91(160)64(43-136)128-80(149)53(99)41-134)93(162)124-59(32-51-19-12-10-13-20-51)82(151)113-36-70(140)112-37-72(142)118-55(24-17-29-110-97(105)106)85(154)133-77(49(6)9-2)95(164)127-62(35-75(145)146)89(158)123-56(86(155)132-76)25-18-30-111-98(107)108/h10-15,19-22,47-50,53-67,76-77,134-137H,8-9,16-18,23-46,99H2,1-7H3,(H2,100,138)(H2,101,139)(H2,102,147)(H,112,140)(H,113,151)(H,114,150)(H,115,152)(H,116,163)(H,117,141)(H,118,142)(H,119,143)(H,120,144)(H,121,156)(H,122,148)(H,123,158)(H,124,162)(H,125,159)(H,126,161)(H,127,164)(H,128,149)(H,129,153)(H,130,157)(H,131,160)(H,132,155)(H,133,154)(H,145,146)(H4,103,104,109)(H4,105,106,110)(H4,107,108,111)/t48-,49-,50-,53-,54-,55-,56+,57+,58-,59+,60-,61-,62-,63-,64-,65-,66+,67+,76?,77+/m0/s1
    MOLECULAR FORMULA
    C98H157N35O31S2
    CROSS REFERENCES
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    canSAR1932003
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2384.12
    AlogP-17.59
    HBond donors47
    HBond acceptors66
    Atoms323
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932003.