
 CHEMBL428524

 59 59  0  0  0  0  0  0  0  0999 V2000
    7.4033    8.4057   -3.9030 C   0  0  0  0  0
    6.8268    7.0219   -3.6508 C   0  0  0  0  0
    7.3375    6.4316   -2.3364 C   0  0  0  0  0
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    6.8138    0.5506   -1.1716 C   0  0  0  0  0
    7.3300   -0.4905   -2.1727 C   0  0  0  0  0
    8.8534   -0.5987   -2.1915 C   0  0  0  0  0
    9.1125   -1.9936   -2.7403 C   0  0  0  0  0
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    7.7718   -3.9791   -2.3840 O   0  0  0  0  0
    6.9293   -1.8553   -1.8761 N   0  0  0  0  0
    5.5409   -2.2698   -1.7251 C   0  0  0  0  0
    4.8179   -2.3655   -3.0699 C   0  0  0  0  0
    3.3943   -2.9003   -2.9085 C   0  0  0  0  0
    2.7275   -3.1075   -4.2700 C   0  0  0  0  0
    1.3033   -3.6427   -4.1236 C   0  0  0  0  0
    0.6708   -3.9063   -5.4846 C   0  0  0  0  0
   -0.7319   -4.4163   -5.3247 C   0  0  0  0  0
   -1.0655   -5.5785   -5.1774 O   0  0  0  0  0
   -1.6469   -3.4285   -5.3157 O   0  0  0  0  0
    7.1124    2.6660    0.8227 O   0  0  0  0  0
    7.0166    8.8114   -4.8431 H   0  0  0  0  0
    8.4952    8.3680   -3.9736 H   0  0  0  0  0
    7.1341    9.0965   -3.0978 H   0  0  0  0  0
    7.0961    6.3641   -4.4854 H   0  0  0  0  0
    5.7327    7.0858   -3.6283 H   0  0  0  0  0
    7.0399    7.0788   -1.5024 H   0  0  0  0  0
    8.4340    6.4021   -2.3478 H   0  0  0  0  0
    7.1037    4.3861   -2.9531 H   0  0  0  0  0
    5.6957    5.0428   -2.1159 H   0  0  0  0  0
    6.9846    5.0886    0.0327 H   0  0  0  0  0
    8.3852    4.4245   -0.7732 H   0  0  0  0  0
    5.6660    3.0150   -0.5700 H   0  0  0  0  0
    8.4246    1.9696   -1.3962 H   0  0  0  0  0
    7.0739    2.2159   -2.5104 H   0  0  0  0  0
    5.7176    0.5668   -1.1931 H   0  0  0  0  0
    7.1003    0.2549   -0.1546 H   0  0  0  0  0
    6.9678   -0.2541   -3.1817 H   0  0  0  0  0
    9.2615   -0.5286   -1.1749 H   0  0  0  0  0
    9.3277    0.1772   -2.8001 H   0  0  0  0  0
    9.1520   -1.9907   -3.8340 H   0  0  0  0  0
   10.0259   -2.4286   -2.3284 H   0  0  0  0  0
    5.0311   -1.5778   -1.0483 H   0  0  0  0  0
    5.5398   -3.2551   -1.2437 H   0  0  0  0  0
    5.3807   -3.0227   -3.7443 H   0  0  0  0  0
    4.7884   -1.3787   -3.5476 H   0  0  0  0  0
    2.8039   -2.1990   -2.3068 H   0  0  0  0  0
    3.4173   -3.8535   -2.3665 H   0  0  0  0  0
    3.3231   -3.8122   -4.8634 H   0  0  0  0  0
    2.7085   -2.1586   -4.8196 H   0  0  0  0  0
    0.6935   -2.9237   -3.5625 H   0  0  0  0  0
    1.3116   -4.5702   -3.5372 H   0  0  0  0  0
    1.2402   -4.6554   -6.0468 H   0  0  0  0  0
    0.6555   -2.9994   -6.1000 H   0  0  0  0  0
   -2.4980   -3.8971   -5.1856 H   0  0  0  0  0
    8.0794    2.7282    0.9076 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6 24  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
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 21 23  1  0  0  0
 21 22  2  0  0  0
 23 58  1  0  0  0
 24 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL428524

>  <PubChem CID>
44269486

>  <Formula>
C19H35NO4

>  <Molecular Weight>
341.492000

>  <IUPAC Name>
7-[(2S)-2-(3-hydroxyoctyl)-5-oxopyrrolidin-1-yl]heptanoic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCC(CCC1CCC(=O)N1CCCCCCC(=O)O)O

>  <Isomeric SMILES>
CCCCCC(CC[C@H]1CCC(=O)N1CCCCCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C19H35NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)/t16-,17?/m0/s1

>  <InChI Key>
CBWGHEDGUILASE-BHWOMJMDSA-N

