
 SCHEMBL8764032

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.7389    0.9654    0.1425 C   0  0  0  0  0
   -0.7946    1.1345    0.1142 C   0  0  0  0  0
   -1.3239   -0.2783   -0.2856 C   0  0  0  0  0
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    0.9336   -0.4395    0.6427 C   0  0  0  0  0
    1.0073   -1.6025   -0.3134 C   0  0  0  0  0
    1.7013   -2.8442    0.0877 C   0  0  0  0  0
    1.6396   -3.3507    1.1938 O   0  0  0  0  0
    2.4311   -3.3825   -0.9066 O   0  0  0  0  0
   -1.4234   -0.5228   -1.8190 C   0  0  0  0  0
   -0.7020   -0.0586   -2.6898 O   0  0  0  0  0
   -2.3628   -1.4414   -2.1517 O   0  0  0  0  0
   -2.6541   -0.4777    0.3237 N   0  0  0  0  0
   -1.3038    2.2969   -0.7478 C   0  0  0  0  0
   -0.8402    3.6507   -0.2576 C   0  0  0  0  0
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   -1.5829    4.3590    0.6979 C   0  0  0  0  0
    0.4332    7.3497    1.0914 F   0  0  0  0  0
    2.2543    6.1121   -0.9125 Cl  0  0  0  0  0
    1.1806    1.0881   -0.8524 H   0  0  0  0  0
    1.2061    1.6875    0.8198 H   0  0  0  0  0
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    1.3654   -0.5108    1.6320 H   0  0  0  0  0
    1.1491   -1.3540   -1.3602 H   0  0  0  0  0
    2.8353   -4.1765   -0.4989 H   0  0  0  0  0
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   -3.0239   -1.3669   -0.0225 H   0  0  0  0  0
   -2.4013    2.2886   -0.7684 H   0  0  0  0  0
   -0.9879    2.1916   -1.7908 H   0  0  0  0  0
    0.9369    3.6721   -1.4941 H   0  0  0  0  0
   -1.7219    6.1666    1.8774 H   0  0  0  0  0
   -2.5083    3.9443    1.0936 H   0  0  0  0  0
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  1 24  1  0  0  0
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  2 14  1  0  0  0
  2 25  1  0  0  0
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  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
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  7  8  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL8764032

>  <PubChem CID>
21309795

>  <Formula>
C15H15ClFNO4

>  <Molecular Weight>
327.736000

>  <IUPAC Name>
(1S,2S,3S,5R,6S)-2-amino-3-[(3-chloro-4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-0.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(C(C2C1C2C(=O)O)(C(=O)O)N)CC3=CC(=C(C=C3)F)Cl

>  <Isomeric SMILES>
C1[C@H]([C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N)CC3=CC(=C(C=C3)F)Cl

>  <InChI Std. ID>
InChI=1S/C15H15ClFNO4/c16-9-4-6(1-2-10(9)17)3-7-5-8-11(13(19)20)12(8)15(7,18)14(21)22/h1-2,4,7-8,11-12H,3,5,18H2,(H,19,20)(H,21,22)/t7-,8+,11+,12+,15+/m1/s1

>  <InChI Key>
JYWMNSYAIWOJGC-NAYXSZQVSA-N

