CDK     1018121543

 19 21  0  0  0  0  0  0  0  0999 V2000
   20.4737  -23.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.4737  -23.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8999  -23.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1868  -22.7098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8999  -23.9504    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1925  -24.3629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3637  -25.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1768  -25.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5056  -24.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6125  -22.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7591  -24.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6933  -23.7346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7570  -22.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0426  -23.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3286  -22.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6147  -23.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6146  -23.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3343  -24.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0452  -23.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  5  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3 10  2  0  0  0  0 
  5  6  1  0  0  0  0 
  2 11  2  0  0  0  0 
  5 12  1  1  0  0  0 
  1  2  1  0  0  0  0 
  1 13  1  6  0  0  0 
  1  4  1  0  0  0  0 
 13 14  1  0  0  0  0 
  2  6  1  0  0  0  0 
 14 15  2  0  0  0  0 
  5  3  1  0  0  0  0 
 15 16  1  0  0  0  0 
  6  7  1  0  0  0  0 
 16 17  2  0  0  0  0 
  7  8  1  0  0  0  0 
 17 18  1  0  0  0  0 
  8  9  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:69440

> <NAME>
cyclo(L-Phe-L-Pro)

> <STAR>
2

> <SECONDARY_ID>
CHEBI:29562

> <SYNONYM>
cyclo(phenylalanyl-prolyl; Cyclo(L-Phe-L-Pro); (3S,8aS)-3-Benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

> <FORMULA>
C14H16N2O2; C14H16N2O2

> <MASS>
244.28900

> <MONOISOTOPIC_MASS>
244.12118

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC2=O

> <INCHI>
InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s1

> <INCHIKEY>
QZBUWPVZSXDWSB-RYUDHWBXSA-N

> <CAS_REGISTRY_NUMBER>
3705-26-8

> <KEGG_COMPOUND_ACCESSION>
C11847

> <PUBMED_CITATION>
21848266

$$$$