canSAR818140
FEATURES
Loading...
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](N)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(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)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/C101H155N33O30S2/c1-8-51(5)80-96(161)118-43-75(141)119-53(7)82(147)123-62(30-31-72(103)138)88(153)131-69(46-135)86(151)117-44-77(143)121-63(35-50(3)4)84(149)116-45-78(144)122-71(95(160)128-66(39-73(104)139)92(157)132-70(47-136)94(159)127-65(37-55-21-14-11-15-22-55)91(156)124-60(24-17-33-112-100(107)108)87(152)130-68(98(163)164)38-56-26-28-57(137)29-27-56)49-166-165-48-58(102)83(148)126-64(36-54-19-12-10-13-20-54)85(150)115-41-74(140)114-42-76(142)120-59(23-16-32-111-99(105)106)89(154)134-81(52(6)9-2)97(162)129-67(40-79(145)146)93(158)125-61(90(155)133-80)25-18-34-113-101(109)110/h10-15,19-22,26-29,50-53,58-71,80-81,135-137H,8-9,16-18,23-25,30-49,102H2,1-7H3,(H2,103,138)(H2,104,139)(H,114,140)(H,115,150)(H,116,149)(H,117,151)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,144)(H,123,147)(H,124,156)(H,125,158)(H,126,148)(H,127,159)(H,128,160)(H,129,162)(H,130,152)(H,131,153)(H,132,157)(H,133,155)(H,134,154)(H,145,146)(H,163,164)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,80-,81-/m0/s1
    MOLECULAR FORMULA
    C101H155N33O30S2
    CROSS REFERENCES
    Loading...
    canSAR818140
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2374.11
    AlogP-13.52
    HBond donors44
    HBond acceptors63
    Atoms321
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818140.