canSAR824890
FEATURES
Loading...
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](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)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](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC
    InChI
    InChI=1S/C80H127N25O24/c1-10-39(6)63(75(125)92-37-60(111)96-53(33-61(112)113)73(123)101-54(34-62(114)115)74(124)104-64(40(7)11-2)76(126)102-52(32-57(84)108)72(122)98-49(78(128)129)20-16-28-90-80(87)88)105-77(127)65(41(8)12-3)103-66(116)42(9)93-71(121)50(29-38(4)5)99-70(120)48(24-26-56(83)107)97-68(118)46(19-15-27-89-79(85)86)95-59(110)36-91-67(117)51(31-43-21-22-44-17-13-14-18-45(44)30-43)100-69(119)47(23-25-55(82)106)94-58(109)35-81/h13-14,17-18,21-22,30,38-42,46-54,63-65H,10-12,15-16,19-20,23-29,31-37,81H2,1-9H3,(H2,82,106)(H2,83,107)(H2,84,108)(H,91,117)(H,92,125)(H,93,121)(H,94,109)(H,95,110)(H,96,111)(H,97,118)(H,98,122)(H,99,120)(H,100,119)(H,101,123)(H,102,126)(H,103,116)(H,104,124)(H,105,127)(H,112,113)(H,114,115)(H,128,129)(H4,85,86,89)(H4,87,88,90)/t39-,40-,41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,63-,64-,65-/m0/s1
    MOLECULAR FORMULA
    C80H127N25O24
    CROSS REFERENCES
    Loading...
    canSAR824890
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1821.95
    AlogP-7.95
    HBond donors34
    HBond acceptors49
    Atoms256
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824890.