
 CHEMBL114084

 66 69  0  0  0  0  0  0  0  0999 V2000
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    6.9363    6.4148    2.0891 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL114084

>  <PubChem CID>
10298764

>  <Formula>
C26H32N2O6

>  <Molecular Weight>
468.550000

>  <IUPAC Name>
(2R,3R,4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCN(C)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCCO4

>  <Isomeric SMILES>
CCCN(C)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCCO4

>  <InChI Std. ID>
InChI=1S/C26H32N2O6/c1-4-11-27(2)23(29)16-28-15-20(18-7-10-21-22(14-18)34-13-12-33-21)24(26(30)31)25(28)17-5-8-19(32-3)9-6-17/h5-10,14,20,24-25H,4,11-13,15-16H2,1-3H3,(H,30,31)/t20-,24-,25+/m1/s1

>  <InChI Key>
FEMRGGRWGGXMND-ZPZUNKDASA-N

