canSAR824371
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
    InChI
    InChI=1S/C112H140N26O27/c1-6-60(4)92(106(159)133-85(57-139)110(163)138-41-19-30-87(138)111(164)165)134-102(155)79(44-63-22-11-8-12-23-63)132-107(160)93(61(5)140)135-103(156)82(49-68-53-115-58-122-68)123-89(144)55-119-88(143)54-120-95(148)77(43-62-20-9-7-10-21-62)126-97(150)76(42-59(2)3)131-108(161)94-105(158)121-56-90(145)124-84(46-65-33-37-70(142)38-34-65)109(162)137-40-18-29-86(137)104(157)130-81(48-67-52-118-74-27-16-14-25-72(67)74)100(153)128-80(47-66-51-117-73-26-15-13-24-71(66)73)99(152)129-83(50-91(146)147)101(154)127-78(45-64-31-35-69(141)36-32-64)98(151)125-75(96(149)136-94)28-17-39-116-112(113)114/h7-16,20-27,31-38,51-53,58-61,75-87,92-94,117-118,139-142H,6,17-19,28-30,39-50,54-57H2,1-5H3,(H,115,122)(H,119,143)(H,120,148)(H,121,158)(H,123,144)(H,124,145)(H,125,151)(H,126,150)(H,127,154)(H,128,153)(H,129,152)(H,130,157)(H,131,161)(H,132,160)(H,133,159)(H,134,155)(H,135,156)(H,136,149)(H,146,147)(H,164,165)(H4,113,114,116)/t60-,61+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,92-,93-,94-/m0/s1
    MOLECULAR FORMULA
    C112H140N26O27
    CROSS REFERENCES
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    canSAR824371
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2281.04
    AlogP-3.80
    HBond donors30
    HBond acceptors53
    Atoms305
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824371.