
 CHEMBL173811

 58 59  0  0  0  0  0  0  0  0999 V2000
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    3.3447    1.4512   -3.5333 H   0  0  0  0  0
    2.2709    3.4880   -7.9106 H   0  0  0  0  0
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  2 30  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL173811

>  <PubChem CID>
10740699

>  <Formula>
C19H31NO5S2

>  <Molecular Weight>
417.579000

>  <IUPAC Name>
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[3-hydroxy-4-(1,3-thiazol-2-ylsulfanyl)butyl]cyclopentyl]heptanoic acid

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1C(C(C(C1O)CCC(CSC2=NC=CS2)O)CCCCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H]([C@H]([C@@H]1O)CCC(CSC2=NC=CS2)O)CCCCCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1

>  <InChI Key>
FNZKSJLLEXLFRT-MUOSFQKXSA-N

