canSAR947118
FEATURES
Loading...
NAMES
    SMILES
    CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
    InChI
    InChI=1S/C66H103N19O20/c1-6-34(4)53(68)65(105)85-48(31-86)64(104)78-41(20-22-51(90)91)58(98)82-45(26-37-16-11-8-12-17-37)62(102)83-46(28-49(67)87)63(103)80-43(24-33(2)3)60(100)84-47(29-52(92)93)59(99)75-35(5)55(95)76-40(19-21-50(88)89)57(97)81-44(25-36-14-9-7-10-15-36)61(101)77-39(18-13-23-73-66(70)71)56(96)79-42(54(69)94)27-38-30-72-32-74-38/h7,9-10,14-15,30,32-35,37,39-48,53,86H,6,8,11-13,16-29,31,68H2,1-5H3,(H2,67,87)(H2,69,94)(H,72,74)(H,75,99)(H,76,95)(H,77,101)(H,78,104)(H,79,96)(H,80,103)(H,81,97)(H,82,98)(H,83,102)(H,84,100)(H,85,105)(H,88,89)(H,90,91)(H,92,93)(H4,70,71,73)/t34-,35-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1
    MOLECULAR FORMULA
    C66H103N19O20
    CROSS REFERENCES
    Loading...
    canSAR947118
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1481.76
    AlogP-5.24
    HBond donors26
    HBond acceptors39
    Atoms208
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR947118.