canSAR824283
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC
    InChI
    InChI=1S/C75H129N25O24/c1-10-37(7)59(71(121)87-34-55(106)91-48(30-56(107)108)68(118)97-49(31-57(109)110)69(119)95-46(28-40-17-13-12-14-18-40)66(116)96-47(29-52(79)103)67(117)93-44(73(123)124)20-16-26-85-75(82)83)100-72(122)60(38(8)11-2)99-61(111)39(9)88-65(115)45(27-35(3)4)94-63(113)43(22-24-51(78)102)92-62(112)41(19-15-25-84-74(80)81)90-54(105)33-86-70(120)58(36(5)6)98-64(114)42(21-23-50(77)101)89-53(104)32-76/h35-49,58-60H,10-34,76H2,1-9H3,(H2,77,101)(H2,78,102)(H2,79,103)(H,86,120)(H,87,121)(H,88,115)(H,89,104)(H,90,105)(H,91,106)(H,92,112)(H,93,117)(H,94,113)(H,95,119)(H,96,116)(H,97,118)(H,98,114)(H,99,111)(H,100,122)(H,107,108)(H,109,110)(H,123,124)(H4,80,81,84)(H4,82,83,85)/t37-,38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,58-,59-,60-/m0/s1
    MOLECULAR FORMULA
    C75H129N25O24
    CROSS REFERENCES
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    canSAR824283
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1763.96
    AlogP-8.77
    HBond donors34
    HBond acceptors49
    Atoms253
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824283.