canSAR816575
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](N)CO)CSSC[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC1=O
    InChI
    InChI=1S/C79H132N30O26S2/c1-7-38(5)60-75(134)95-30-57(117)98-49(32-111)65(124)93-28-56(116)97-45(23-37(3)4)64(123)92-29-58(118)99-53(74(133)103-47(25-54(81)114)70(129)106-51(34-113)72(131)102-46(24-40-15-10-9-11-16-40)69(128)100-42(62(82)121)17-12-20-89-77(83)84)36-137-136-35-52(107-73(132)50(33-112)105-63(122)41(80)31-110)66(125)94-27-55(115)96-43(18-13-21-90-78(85)86)67(126)109-61(39(6)8-2)76(135)104-48(26-59(119)120)71(130)101-44(68(127)108-60)19-14-22-91-79(87)88/h9-11,15-16,37-39,41-53,60-61,110-113H,7-8,12-14,17-36,80H2,1-6H3,(H2,81,114)(H2,82,121)(H,92,123)(H,93,124)(H,94,125)(H,95,134)(H,96,115)(H,97,116)(H,98,117)(H,99,118)(H,100,128)(H,101,130)(H,102,131)(H,103,133)(H,104,135)(H,105,122)(H,106,129)(H,107,132)(H,108,127)(H,109,126)(H,119,120)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t38-,39-,41+,42-,43-,44+,45-,46-,47-,48-,49-,50-,51-,52+,53+,60-,61+/m0/s1
    MOLECULAR FORMULA
    C79H132N30O26S2
    CROSS REFERENCES
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    canSAR816575
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1980.94
    AlogP-15.69
    HBond donors41
    HBond acceptors56
    Atoms269
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR816575.