
 CHEMBL1929538

 58 59  0  0  0  0  0  0  0  0999 V2000
    6.1671   -8.8251    2.4366 C   0  0  0  0  0
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    7.0866   -8.6117    2.9901 H   0  0  0  0  0
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    4.5228   -7.3824    3.8291 H   0  0  0  0  0
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    6.4944   -3.0321   -0.1435 H   0  0  0  0  0
    4.2043   -3.0362   -1.0876 H   0  0  0  0  0
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    1.5905    1.1505   -3.8870 H   0  0  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
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  3 33  1  0  0  0
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  9 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1929538

>  <PubChem CID>
10410053

>  <Formula>
C21H29NO6S

>  <Molecular Weight>
423.524000

>  <IUPAC Name>
4-[2-[(4S)-4-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoic acid

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COCC1=CC=CC(=C1)CC(C=CC2COC(=O)N2CCSCCCC(=O)O)O

>  <Isomeric SMILES>
COCC1=CC=CC(=C1)C[C@@H](/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C21H29NO6S/c1-27-14-17-5-2-4-16(12-17)13-19(23)8-7-18-15-28-21(26)22(18)9-11-29-10-3-6-20(24)25/h2,4-5,7-8,12,18-19,23H,3,6,9-11,13-15H2,1H3,(H,24,25)/b8-7+/t18-,19+/m0/s1

>  <InChI Key>
ADSFRWQOVWVKOK-YZPMEYCISA-N

