
 CHEMBL2028844

102106  0  0  0  0  0  0  0  0999 V2000
    1.5269    3.5266   -3.1652 C   0  0  0  0  0
    2.8355    3.4792   -2.3784 C   0  0  0  0  0
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    6.8468   10.8692    1.0589 H   0  0  0  0  0
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    7.4663   12.6312    2.7273 H   0  0  0  0  0
    7.5248   12.2143    4.4579 H   0  0  0  0  0
    7.2047   14.4713    4.2868 H   0  0  0  0  0
    5.9478   15.4134    4.8523 H   0  0  0  0  0
    3.4617   13.4911    3.7676 H   0  0  0  0  0
    3.9621   15.0632    3.5440 H   0  0  0  0  0
    5.0588    1.7515    1.8415 H   0  0  0  0  0
    6.2209    3.0516    1.5356 H   0  0  0  0  0
    6.9342    1.9124   -0.2794 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2028844

>  <PubChem CID>
70681476

>  <Formula>
C35H51N9O7

>  <Molecular Weight>
709.849000

>  <IUPAC Name>


>  <XlogP>
-0.4

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)N2CC3=CC=CC=C3CC2C(=O)N4C5CCCCC5CC4C(=O)NC(C(=O)NCCCC(=O)N1)CCCN=C(N)N)CO

>  <Isomeric SMILES>
C[C@H]1C(=O)N[C@H](C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N4[C@@H](CC5C4CCCC5)C(=O)N[C@H](C(=O)NCCCC(=O)N1)CCCN=C(N)N)CO

>  <InChI Std. ID>
InChI=1S/C35H51N9O7/c1-20-30(47)42-25(19-45)33(50)43-18-23-10-3-2-8-21(23)16-28(43)34(51)44-26-12-5-4-9-22(26)17-27(44)32(49)41-24(11-6-15-39-35(36)37)31(48)38-14-7-13-29(46)40-20/h2-3,8,10,20,22,24-28,45H,4-7,9,11-19H2,1H3,(H,38,48)(H,40,46)(H,41,49)(H,42,47)(H4,36,37,39)/t20-,22?,24-,25-,26?,27-,28+/m0/s1

>  <InChI Key>
SYAGZQGLKGUODK-KCFAWSOHSA-N

