
 CHEMBL65161

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL65161

>  <PubChem CID>
44305452

>  <Formula>
C29H31NO3S

>  <Molecular Weight>
473.631000

>  <IUPAC Name>
(Z)-7-[(2S,3S,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-ylthiolan-3-yl]hept-5-enoic acid

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(C(C(S1)C2=CN=CC=C2)CC=CCCCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1[C@H]([C@@H]([C@H](S1)C2=CN=CC=C2)C/C=C\CCCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H31NO3S/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1,3-6,8-11,14-19,26-27,29H,2,7,12-13,20-21H2,(H,31,32)/b6-1-/t26-,27+,29+/m0/s1

>  <InChI Key>
AVFPODQCTNAKHD-BTOVUEFMSA-N

