canSAR73592
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O
    InChI
    InChI=1S/C119H172N30O31S/c1-12-63(8)97(146-110(171)83(51-71-55-126-59-130-71)132-92(155)56-129-100(161)77(38-40-93(156)157)135-103(164)78(37-39-90(121)153)136-108(169)85(53-94(158)159)140-107(168)84(52-91(122)154)139-102(163)76(31-22-43-127-119(124)125)133-99(160)64(9)131-113(174)89-50-68-26-16-17-27-69(68)57-149(89)117(178)95(123)61(4)5)114(175)141-80(46-60(2)3)105(166)134-75(30-20-21-42-120)101(162)137-79(41-45-181-11)104(165)143-86(48-66-24-14-13-15-25-66)116(177)148-44-23-32-88(148)112(173)144-87(58-150)111(172)147-98(65(10)151)115(176)142-82(49-70-54-128-74-29-19-18-28-73(70)74)106(167)138-81(47-67-33-35-72(152)36-34-67)109(170)145-96(62(6)7)118(179)180/h13-19,24-29,33-36,54-55,59-65,75-89,95-98,128,150-152H,12,20-23,30-32,37-53,56-58,120,123H2,1-11H3,(H2,121,153)(H2,122,154)(H,126,130)(H,129,161)(H,131,174)(H,132,155)(H,133,160)(H,134,166)(H,135,164)(H,136,169)(H,137,162)(H,138,167)(H,139,163)(H,140,168)(H,141,175)(H,142,176)(H,143,165)(H,144,173)(H,145,170)(H,146,171)(H,147,172)(H,156,157)(H,158,159)(H,179,180)(H4,124,125,127)/t63-,64-,65+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88?,89-,95-,96-,97-,98-/m0/s1
    MOLECULAR FORMULA
    C119H172N30O31S
    CROSS REFERENCES
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    canSAR73592
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2549.25
    AlogP-6.21
    HBond donors38
    HBond acceptors61
    Atoms353
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR73592.