canSAR735573
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C
    InChI
    InChI=1S/C119H182N32O33S/c1-58(2)46-77(103(169)133-62(9)115(180)150-43-22-31-83(150)109(175)143-78(48-66-33-35-69(155)36-34-66)99(165)131-55-87(157)134-80(49-67-52-129-71-27-17-16-26-70(67)71)105(171)137-75(39-45-185-12)102(168)147-92(60(5)6)111(177)140-76(117(182)183)28-18-19-40-120)141-104(170)79(47-65-24-14-13-15-25-65)144-112(178)93(61(7)8)148-113(179)94(64(11)154)149-107(173)81(50-68-53-126-57-132-68)142-106(172)82(51-86(156)145-114-97(163)96(162)95(161)85(56-152)184-114)135-88(158)54-130-98(164)72(29-20-41-127-118(122)123)136-100(166)74(37-38-89(159)160)139-110(176)91(59(3)4)146-101(167)73(30-21-42-128-119(124)125)138-108(174)84-32-23-44-151(84)116(181)90(121)63(10)153/h13-17,24-27,33-36,52-53,57-64,72-85,90-97,114,129,152-155,161-163H,18-23,28-32,37-51,54-56,120-121H2,1-12H3,(H,126,132)(H,130,164)(H,131,165)(H,133,169)(H,134,157)(H,135,158)(H,136,166)(H,137,171)(H,138,174)(H,139,176)(H,140,177)(H,141,170)(H,142,172)(H,143,175)(H,144,178)(H,145,156)(H,146,167)(H,147,168)(H,148,179)(H,149,173)(H,159,160)(H,182,183)(H4,122,123,127)(H4,124,125,128)/t62-,63+,64+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,90-,91-,92-,93-,94-,95+,96-,97+,114+/m0/s1
    MOLECULAR FORMULA
    C119H182N32O33S
    CROSS REFERENCES
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    canSAR735573
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2619.33
    AlogP-9.37
    HBond donors42
    HBond acceptors65
    Atoms367
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR735573.