
 SCHEMBL1310801

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    4.2899    4.1753   -1.8679 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1310801

>  <PubChem CID>
11855324

>  <Formula>
C21H25NO5

>  <Molecular Weight>
371.433000

>  <IUPAC Name>
5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)C1=CC=C(C=C1)N2C(CCC2=O)COCC3=CC=C(O3)C(=O)O

>  <Isomeric SMILES>
CC(C)(C)C1=CC=C(C=C1)N2[C@H](CCC2=O)COCC3=CC=C(O3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H25NO5/c1-21(2,3)14-4-6-15(7-5-14)22-16(8-11-19(22)23)12-26-13-17-9-10-18(27-17)20(24)25/h4-7,9-10,16H,8,11-13H2,1-3H3,(H,24,25)/t16-/m1/s1

>  <InChI Key>
BADIOVUTPYVHGM-MRXNPFEDSA-N

