
 CHEMBL3697137

 73 76  0  0  0  0  0  0  0  0999 V2000
    1.1128   -1.0871    0.0188 C   0  0  0  0  0
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    2.8431    0.6833    0.6948 N   0  0  0  0  0
    2.1605    0.8345    2.0000 C   0  0  0  0  0
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    6.0754    4.1400    1.7423 C   0  0  0  0  0
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    4.5159   10.6349    0.6983 O   0  0  0  0  0
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    2.2699    7.2489   -1.3702 O   0  0  0  0  0
    6.9540    4.5625    2.7103 O   0  0  0  0  0
    6.2282    5.0962    3.8163 C   0  0  0  0  0
    0.7519   -1.3792    1.0100 H   0  0  0  0  0
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    3.1328   -1.4104    0.6308 H   0  0  0  0  0
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    5.0877   -2.4991   -3.4670 H   0  0  0  0  0
    4.2857   -2.4581   -1.1370 H   0  0  0  0  0
    2.6761    0.2549    2.7769 H   0  0  0  0  0
    1.1500    0.4201    1.9485 H   0  0  0  0  0
    2.9274    2.7850    2.6066 H   0  0  0  0  0
    0.1985    2.5481    1.2253 H   0  0  0  0  0
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    1.2920    5.1709    2.1990 H   0  0  0  0  0
   -0.3715    4.6130    2.1181 H   0  0  0  0  0
   -0.3059    3.8596    4.2759 H   0  0  0  0  0
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    3.0990    5.6705    4.9159 H   0  0  0  0  0
    4.8732    0.4069    0.0301 H   0  0  0  0  0
    4.6689    0.3830    1.7570 H   0  0  0  0  0
    6.0234    2.1589    2.5693 H   0  0  0  0  0
    4.4350    5.1294   -1.0758 H   0  0  0  0  0
    3.6848    2.8273   -0.9855 H   0  0  0  0  0
    5.3238    7.0141   -1.0132 H   0  0  0  0  0
    6.1686    8.1570   -0.0126 H   0  0  0  0  0
    4.4456    8.1807    1.7081 H   0  0  0  0  0
    3.5417    6.8898    0.9250 H   0  0  0  0  0
    2.1515   11.4765   -0.4694 H   0  0  0  0  0
    3.3977   11.2654   -1.7346 H   0  0  0  0  0
    0.9211    9.7055   -1.3321 H   0  0  0  0  0
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    5.5438    5.8954    3.5102 H   0  0  0  0  0
    6.9509    5.5226    4.5183 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3697137

>  <PubChem CID>
89610360

>  <Formula>
C29H35ClN2O6

>  <Molecular Weight>
543.057000

>  <IUPAC Name>
(1R,3S)-3-[[[(1S)-1-(4-chlorophenyl)ethyl]-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]cyclopentane-1-carboxylic acid

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)Cl)N(CC2CCC(C2)C(=O)O)CC3=CC(=C(C=C3)OCCN4C(=O)CCC4=O)OC

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)Cl)N(C[C@H]2CC[C@H](C2)C(=O)O)CC3=CC(=C(C=C3)OCCN4C(=O)CCC4=O)OC

>  <InChI Std. ID>
InChI=1S/C29H35ClN2O6/c1-19(22-6-8-24(30)9-7-22)31(17-20-3-5-23(15-20)29(35)36)18-21-4-10-25(26(16-21)37-2)38-14-13-32-27(33)11-12-28(32)34/h4,6-10,16,19-20,23H,3,5,11-15,17-18H2,1-2H3,(H,35,36)/t19-,20-,23+/m0/s1

>  <InChI Key>
APXRSUDGZXWFQY-SXWKCWPCSA-N

