
 AH23848

 70 73  0  0  0  0  0  0  0  0999 V2000
    1.7263    1.0393   -0.6412 C   0  0  0  0  0
    1.2799    1.3833   -2.0717 C   0  0  0  0  0
    0.6176    0.2764   -2.6947 O   0  0  0  0  0
   -0.5127   -0.1252   -1.9100 C   0  0  0  0  0
   -0.0917   -0.5195   -0.4829 C   0  0  0  0  0
    0.5839    0.6042    0.1882 N   0  0  0  0  0
    0.9868    0.4025    1.5935 C   0  0  0  0  0
    0.4981    1.5885    2.4784 C   0  0  0  0  0
    0.5068    0.9920    3.8958 C   0  0  0  0  0
   -0.0273   -0.4297    3.7395 C   0  0  0  0  0
    0.4021   -0.7941    2.3437 C   0  0  0  0  0
    0.3109   -1.9400    1.9132 O   0  0  0  0  0
    1.8411    0.9239    4.4113 O   0  0  0  0  0
    2.2639    2.1551    4.9993 C   0  0  0  0  0
    3.5814    1.9473    5.6947 C   0  0  0  0  0
    4.7872    2.0917    5.0015 C   0  0  0  0  0
    6.0106    1.9284    5.6621 C   0  0  0  0  0
    6.0673    1.6120    7.0301 C   0  0  0  0  0
    4.8479    1.4430    7.7066 C   0  0  0  0  0
    3.6227    1.6003    7.0492 C   0  0  0  0  0
    7.3589    1.4689    7.7331 C   0  0  0  0  0
    8.4007    2.3933    7.5373 C   0  0  0  0  0
    9.6211    2.2658    8.2076 C   0  0  0  0  0
    9.8231    1.2114    9.0931 C   0  0  0  0  0
    8.8075    0.2838    9.3055 C   0  0  0  0  0
    7.5897    0.4109    8.6299 C   0  0  0  0  0
   -0.8942    2.1257    2.0683 C   0  0  0  0  0
   -1.4102    3.2665    2.9511 C   0  0  0  0  0
   -2.6095    3.9020    2.3092 C   0  0  0  0  0
   -3.8776    3.6359    2.6573 C   0  0  0  0  0
   -5.0661    4.2238    1.9512 C   0  0  0  0  0
   -5.7257    3.1890    1.0511 C   0  0  0  0  0
   -6.8816    3.8056    0.3234 C   0  0  0  0  0
   -8.0270    3.8904    0.7329 O   0  0  0  0  0
   -6.5333    4.3252   -0.8682 O   0  0  0  0  0
    2.4766    0.2389   -0.6833 H   0  0  0  0  0
    2.1984    1.9252   -0.2012 H   0  0  0  0  0
    2.1538    1.6309   -2.6827 H   0  0  0  0  0
    0.6123    2.2535   -2.0785 H   0  0  0  0  0
   -1.2484    0.6891   -1.8942 H   0  0  0  0  0
   -0.9782   -0.9806   -2.4098 H   0  0  0  0  0
   -1.0023   -0.7964    0.0595 H   0  0  0  0  0
    0.5758   -1.3875   -0.5397 H   0  0  0  0  0
    2.0763    0.2951    1.6910 H   0  0  0  0  0
    1.2173    2.4102    2.3809 H   0  0  0  0  0
   -0.1174    1.5326    4.6129 H   0  0  0  0  0
    0.4104   -1.1234    4.4617 H   0  0  0  0  0
   -1.1201   -0.4547    3.7796 H   0  0  0  0  0
    1.5202    2.5060    5.7256 H   0  0  0  0  0
    2.3664    2.9285    4.2302 H   0  0  0  0  0
    4.7853    2.3351    3.9416 H   0  0  0  0  0
    6.9290    2.0428    5.0896 H   0  0  0  0  0
    4.8394    1.2005    8.7674 H   0  0  0  0  0
    2.7008    1.4583    7.6085 H   0  0  0  0  0
    8.2641    3.2379    6.8650 H   0  0  0  0  0
   10.4103    2.9940    8.0396 H   0  0  0  0  0
   10.7701    1.1127    9.6169 H   0  0  0  0  0
    8.9606   -0.5424    9.9948 H   0  0  0  0  0
    6.8192   -0.3374    8.8038 H   0  0  0  0  0
   -1.6313    1.3121    2.0616 H   0  0  0  0  0
   -0.8359    2.4991    1.0375 H   0  0  0  0  0
   -0.6356    4.0305    3.0840 H   0  0  0  0  0
   -1.6709    2.8965    3.9483 H   0  0  0  0  0
   -2.4086    4.5852    1.4852 H   0  0  0  0  0
   -4.0855    2.9377    3.4658 H   0  0  0  0  0
   -4.7711    5.1007    1.3608 H   0  0  0  0  0
   -5.7797    4.5882    2.7002 H   0  0  0  0  0
   -6.1002    2.3342    1.6266 H   0  0  0  0  0
   -5.0182    2.7825    0.3176 H   0  0  0  0  0
   -7.3680    4.6989   -1.2217 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
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  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  6  7  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 45  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
  9 46  1  0  0  0
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 31 32  1  0  0  0
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 32 33  1  0  0  0
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 33 34  2  0  0  0
 35 70  1  0  0  0
M  END

>  <Chemical Name>
AH23848

>  <PubChem CID>
5310999

>  <Formula>
C29H35NO5

>  <Molecular Weight>
477.601000

>  <IUPAC Name>
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CCC=CCCC(=O)O

>  <Isomeric SMILES>
C1COCCN1[C@@H]2[C@H]([C@H](CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C\CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m0/s1

>  <InChI Key>
IOFUFYLETVNNRF-OSAZKUMMSA-N

