
 SCHEMBL8832063

 45 47  0  0  0  0  0  0  0  0999 V2000
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    1.9935    1.5926   -0.1079 C   0  0  0  0  0
    2.4629    0.9826    0.8481 O   0  0  0  0  0
    2.7655    2.0560   -1.1485 N   0  0  0  0  0
    4.2038    1.8721   -1.1342 C   0  0  0  0  0
    4.8349    2.1812   -2.4658 C   0  0  0  0  0
    4.3753    3.2206   -3.4634 C   0  0  0  0  0
    5.4034    3.5847   -2.4031 C   0  0  0  0  0
    5.1327    4.1194   -1.0031 C   0  0  0  0  0
    4.9447    2.8210   -0.1470 C   0  0  0  0  0
    6.2590    2.3166    0.1914 O   0  0  0  0  0
    6.2428    1.2125    1.0945 C   0  0  0  0  0
    7.6562    0.7218    1.3199 C   0  0  0  0  0
    7.9589   -0.0004    2.4853 C   0  0  0  0  0
    9.2470   -0.5056    2.7033 C   0  0  0  0  0
   10.2479   -0.3006    1.7485 C   0  0  0  0  0
    9.9536    0.4026    0.5782 C   0  0  0  0  0
    8.6659    0.9013    0.3624 C   0  0  0  0  0
   11.8586   -0.8931    1.9494 Cl  0  0  0  0  0
    9.5281   -1.3798    4.1668 Cl  0  0  0  0  0
    3.8699    4.9924   -0.8358 C   0  0  0  0  0
    2.8760    5.0215   -1.5453 O   0  0  0  0  0
    3.8885    5.7208    0.3106 O   0  0  0  0  0
    6.3247    4.9056   -0.5899 N   0  0  0  0  0
    4.7902    3.0460   -4.8736 C   0  0  0  0  0
    5.9341    2.8272   -5.2418 O   0  0  0  0  0
    3.7599    3.0784   -5.7335 O   0  0  0  0  0
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    5.5084    1.3950   -2.7912 H   0  0  0  0  0
    3.3781    3.6256   -3.3714 H   0  0  0  0  0
    6.4331    3.7101   -2.7243 H   0  0  0  0  0
    4.3909    3.0116    0.7799 H   0  0  0  0  0
    5.6617    0.3798    0.6877 H   0  0  0  0  0
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    7.0486    4.2208   -0.3475 H   0  0  0  0  0
    6.0955    5.3511    0.3032 H   0  0  0  0  0
    4.1788    2.9108   -6.6026 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL8832063

>  <PubChem CID>
67705376

>  <Formula>
C17H18Cl2N2O6

>  <Molecular Weight>
417.239000

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

>  <XlogP>
-1.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(=O)NC1C2C(C2C(C1OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N)C(=O)O

>  <Isomeric SMILES>
CC(=O)N[C@H]1[C@H]2[C@@H]([C@H]2[C@@]([C@@H]1OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H18Cl2N2O6/c1-6(22)21-13-10-11(15(23)24)12(10)17(20,16(25)26)14(13)27-5-7-2-3-8(18)9(19)4-7/h2-4,10-14H,5,20H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t10-,11-,12-,13-,14+,17+/m0/s1

>  <InChI Key>
ACVCREFNDLDKHC-SGPHYXEKSA-N

