
 CHEMBL2035935

 48 50  0  0  0  0  0  0  0  0999 V2000
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   -0.7003    0.4023    0.9041 C   0  0  0  0  0
   -0.1910    0.6559   -0.5258 C   0  0  0  0  0
    0.5732   -0.6176   -0.8947 C   0  0  0  0  0
    0.0947   -1.6401    0.0355 N   0  0  0  0  0
   -1.3194    0.9354   -1.5132 C   0  0  0  0  0
   -2.5006    1.0257   -1.1905 O   0  0  0  0  0
   -0.8969    1.1376   -2.8103 N   0  0  0  0  0
   -1.8466    1.4296   -3.8581 C   0  0  0  0  0
   -1.1625    1.5365   -5.1948 C   0  0  0  0  0
   -0.7035    2.7767   -5.6603 C   0  0  0  0  0
   -0.0577    2.8743   -6.8944 C   0  0  0  0  0
    0.1437    1.7337   -7.6696 C   0  0  0  0  0
   -0.2952    0.4936   -7.2101 C   0  0  0  0  0
   -0.9411    0.3934   -5.9762 C   0  0  0  0  0
   -0.2727    1.4643    1.9032 C   0  0  0  0  0
    0.4998    2.3782    1.6356 O   0  0  0  0  0
   -0.8038    1.2800    3.1614 N   0  0  0  0  0
   -0.5187    2.2070    4.2310 C   0  0  0  0  0
   -1.1311    1.7355    5.5225 C   0  0  0  0  0
   -0.4583    0.8120    6.3354 C   0  0  0  0  0
   -1.0417    0.3538    7.5185 C   0  0  0  0  0
   -2.3045    0.8072    7.8957 C   0  0  0  0  0
   -2.9869    1.7161    7.0896 C   0  0  0  0  0
   -2.4058    2.1755    5.9062 C   0  0  0  0  0
    0.8793   -0.8132    1.8088 H   0  0  0  0  0
   -0.7460   -1.5014    1.9670 H   0  0  0  0  0
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    0.0878    1.2398   -3.0153 H   0  0  0  0  0
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   -1.5900    0.6525    3.2785 H   0  0  0  0  0
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    0.5689    2.3107    4.3330 H   0  0  0  0  0
    0.5251    0.4450    6.0503 H   0  0  0  0  0
   -0.5111   -0.3583    8.1461 H   0  0  0  0  0
   -2.7576    0.4508    8.8168 H   0  0  0  0  0
   -3.9733    2.0672    7.3817 H   0  0  0  0  0
   -2.9536    2.8815    5.2848 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
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  3  4  1  0  0  0
  3  6  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
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 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2035935

>  <PubChem CID>
70685980

>  <Formula>
C20H23N3O2

>  <Molecular Weight>
337.423000

>  <IUPAC Name>
(3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(C(CN1)C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

>  <Isomeric SMILES>
C1[C@H]([C@@H](CN1)C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H23N3O2/c24-19(22-11-15-7-3-1-4-8-15)17-13-21-14-18(17)20(25)23-12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,22,24)(H,23,25)/t17-,18-/m1/s1

>  <InChI Key>
ACFLFTASFIWDPS-QZTJIDSGSA-N

