
 UNII-XO355X0D3B

 58 60  0  0  0  0  0  0  0  0999 V2000
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   -1.3883    0.4794    1.0656 C   0  0  0  0  0
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    3.2239   -2.8280   -2.7206 C   0  0  0  0  0
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    3.5743   -5.8410   -5.7950 C   0  0  0  0  0
    4.6939   -5.4652   -5.0538 C   0  0  0  0  0
    4.5821   -4.4898   -4.0632 C   0  0  0  0  0
    1.1247   -5.6645   -6.3589 C   0  0  0  0  0
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    0.8519   -6.9941   -6.2416 F   0  0  0  0  0
   -0.0224   -5.0184   -6.0050 F   0  0  0  0  0
    4.0489   -4.0912   -0.8078 O   0  0  0  0  0
    2.3120    0.8059    0.8171 C   0  0  0  0  0
    2.9420    1.2747   -0.4916 C   0  0  0  0  0
    4.3806    1.7344   -0.2597 C   0  0  0  0  0
    5.0957    2.0003   -1.5506 C   0  0  0  0  0
    5.1277    3.1660   -2.2871 C   0  0  0  0  0
    5.9527    3.0487   -3.4435 C   0  0  0  0  0
    6.5246    1.7956   -3.5625 C   0  0  0  0  0
    6.0324    0.7687   -2.2831 S   0  0  0  0  0
    7.4305    1.2888   -4.5658 C   0  0  0  0  0
    7.8869    0.1617   -4.6891 O   0  0  0  0  0
    7.7862    2.2541   -5.4456 O   0  0  0  0  0
   -1.6230   -1.6386    0.5794 H   0  0  0  0  0
   -1.2432   -0.5846   -0.7918 H   0  0  0  0  0
   -1.6282    0.2387    2.1057 H   0  0  0  0  0
   -2.2079    1.0360    0.6056 H   0  0  0  0  0
    0.6216   -1.4551    1.4719 H   0  0  0  0  0
    1.1534   -1.1469   -1.5369 H   0  0  0  0  0
    0.3875   -2.5919   -0.8867 H   0  0  0  0  0
    2.3793   -2.8920    0.6695 H   0  0  0  0  0
    3.2125   -1.6393   -0.2152 H   0  0  0  0  0
    2.1168   -4.2112   -1.4482 H   0  0  0  0  0
    4.1608   -2.2591   -2.6675 H   0  0  0  0  0
    2.4513   -2.1173   -3.0328 H   0  0  0  0  0
    1.2623   -3.7985   -4.3529 H   0  0  0  0  0
    3.6752   -6.6050   -6.5644 H   0  0  0  0  0
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    5.4642   -4.2157   -3.4883 H   0  0  0  0  0
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    2.3521    2.0968   -0.9174 H   0  0  0  0  0
    2.9140    0.4684   -1.2329 H   0  0  0  0  0
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    4.3801    2.6486    0.3476 H   0  0  0  0  0
    4.5955    4.0673   -2.0052 H   0  0  0  0  0
    6.1267    3.8503   -4.1528 H   0  0  0  0  0
    8.4033    1.7863   -6.0451 H   0  0  0  0  0
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M  END

>  <Chemical Name>
UNII-XO355X0D3B

>  <PubChem CID>
9934368

>  <Formula>
C23H26F3NO4S

>  <Molecular Weight>
469.519000

>  <IUPAC Name>
5-[3-[(2S)-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)C(F)(F)F)O)CCCC3=CC=C(S3)C(=O)O

>  <Isomeric SMILES>
C1CC(=O)N([C@H]1CC[C@H](CC2=CC(=CC=C2)C(F)(F)F)O)CCCC3=CC=C(S3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/t17-,18+/m0/s1

>  <InChI Key>
JYZXGURJKNAFPT-ZWKOTPCHSA-N

