
 CHEMBL331577

 64 66  0  0  0  0  0  0  0  0999 V2000
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   12.9512    0.6071    2.4595 C   0  0  0  0  0
    8.6964    6.8422    2.5130 C   0  0  0  0  0
    9.1316    6.3903    3.5599 O   0  0  0  0  0
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    9.3264    8.2058   -0.7181 C   0  0  0  0  0
   12.1619    7.8034   -3.0743 O   0  0  0  0  0
   13.0117    8.8719   -2.6747 C   0  0  0  0  0
    8.9244   -1.6909    0.4466 H   0  0  0  0  0
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    9.8928   -0.9270   -0.8256 H   0  0  0  0  0
    7.1462   -0.0067    0.1750 H   0  0  0  0  0
    7.4535   -0.8321   -1.3437 H   0  0  0  0  0
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    5.7211    1.8777   -3.6119 H   0  0  0  0  0
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    6.6520    5.3684   -1.4892 H   0  0  0  0  0
    6.9306    7.4972    0.0939 H   0  0  0  0  0
    6.7826    6.3449    2.0364 H   0  0  0  0  0
    7.1974    4.2402    2.3169 H   0  0  0  0  0
   10.4675    5.4184    0.7599 H   0  0  0  0  0
   12.5650    4.2399    1.1050 H   0  0  0  0  0
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    8.3702    2.2628    2.8271 H   0  0  0  0  0
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   10.9399    5.5855   -3.0443 H   0  0  0  0  0
   10.8305    9.5611   -1.4064 H   0  0  0  0  0
    8.8700    8.9765   -0.0996 H   0  0  0  0  0
   13.9322    8.8037   -3.2621 H   0  0  0  0  0
   13.2850    8.7907   -1.6166 H   0  0  0  0  0
   12.5511    9.8416   -2.8892 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
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  3  4  1  0  0  0
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  4  6  1  0  0  0
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  6  8  1  0  0  0
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  8  9  1  0  0  0
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  8 44  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
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 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL331577

>  <PubChem CID>
10813007

>  <Formula>
C25H32N2O5

>  <Molecular Weight>
440.540000

>  <IUPAC Name>
(2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCN(C)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CCCN(C)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C25H32N2O5/c1-5-14-26(2)22(28)16-27-15-21(17-6-10-19(31-3)11-7-17)23(25(29)30)24(27)18-8-12-20(32-4)13-9-18/h6-13,21,23-24H,5,14-16H2,1-4H3,(H,29,30)/t21-,23-,24+/m1/s1

>  <InChI Key>
BVNZXNOMGWQSDJ-JRFVFWCSSA-N

