canSAR738203
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O
    InChI
    InChI=1S/C68H95N13O29S/c1-6-35(4)57(80-61(98)43(22-27-55(91)92)73-58(95)40(19-24-52(85)86)74-63(100)46(30-37-11-8-7-9-12-37)79-65(102)48(32-56(93)94)71-51(84)33-70-36(5)82)67(104)81-28-10-13-49(81)66(103)75-42(21-26-54(89)90)59(96)72-41(20-25-53(87)88)60(97)78-47(31-38-14-16-39(17-15-38)110-111(107,108)109)64(101)77-45(29-34(2)3)62(99)76-44(68(105)106)18-23-50(69)83/h7-9,11-12,14-17,34-35,40-49,57H,6,10,13,18-33H2,1-5H3,(H2,69,83)(H,70,82)(H,71,84)(H,72,96)(H,73,95)(H,74,100)(H,75,103)(H,76,99)(H,77,101)(H,78,97)(H,79,102)(H,80,98)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,105,106)(H,107,108,109)/t35-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,57-/m0/s1
    MOLECULAR FORMULA
    C68H95N13O29S
    CROSS REFERENCES
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    canSAR738203
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1589.61
    AlogP-4.00
    HBond donors20
    HBond acceptors42
    Atoms206
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR738203.