
 CHEMBL278351

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL278351

>  <PubChem CID>
10071124

>  <Formula>
C27H26N2O3

>  <Molecular Weight>
426.516000

>  <IUPAC Name>
(3,5-dimethylphenyl)methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate

>  <XlogP>
5.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C27H26N2O3/c1-18-12-19(2)14-20(13-18)17-32-27(31)25(29-26(30)21-8-4-3-5-9-21)15-22-16-28-24-11-7-6-10-23(22)24/h3-14,16,25,28H,15,17H2,1-2H3,(H,29,30)/t25-/m0/s1

>  <InChI Key>
BKFSYSKVGGJRTB-VWLOTQADSA-N

