Ketcher 09171911542D 1   1.00000     0.00000     0

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   24.4137  -18.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   27.0117  -18.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6818  -17.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.4137  -23.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8157  -21.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9496  -21.3499    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   24.4137  -21.3499    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
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  5 10  2  0     0  0
  1 11  1  0     0  0
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 11 13  2  0     0  0
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 15 16  1  0     0  0
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 22 23  1  0     0  0
 19 24  1  0     0  0
M  END
> <ID>
CHEBI:144862

> <NAME>
N(2)-[4-(2,4-dichlorophenoxy)butanoyl]-L-glutamine

> <DEFINITION>
An N2-acyl-L-glutamine that is L-glutamine in which one of the hydrogens of the α-amino group has been replaced by a 4-(2,4-dichlorophenoxy)butanoyl group.

> <STAR>
3

> <SYNONYM>
(2S)-5-amino-2-[4-(2,4-dichlorophenoxy)butanoylamino]-5-oxopentanoic acid

> <IUPAC_NAME>
N(2)-[4-(2,4-dichlorophenoxy)butanoyl]-L-glutamine

> <FORMULA>
C15H18Cl2N2O5

> <MASS>
377.220

> <MONOISOTOPIC_MASS>
376.05928

> <CHARGE>
0

> <SMILES>
N([C@@H](CCC(N)=O)C(=O)O)C(CCCOC=1C=CC(=CC1Cl)Cl)=O

> <INCHI>
InChI=1S/C15H18Cl2N2O5/c16-9-3-5-12(10(17)8-9)24-7-1-2-14(21)19-11(15(22)23)4-6-13(18)20/h3,5,8,11H,1-2,4,6-7H2,(H2,18,20)(H,19,21)(H,22,23)/t11-/m0/s1

> <INCHIKEY>
KDJOGNVMKQDCJK-NSHDSACASA-N

> <PUBMED_CITATION>
30315112

$$$$