Marvin  05291310052D          

 23 23  0  0  1  0            999 V2000
    9.1625   -7.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4481  -11.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5914   -7.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7336  -11.8286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3059   -8.1161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4481  -10.5910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8770   -8.1161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1625  -11.8286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625  -10.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8770   -8.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -9.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5914   -6.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7349   -8.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4494   -7.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0204   -7.7036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0204   -6.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7350   -6.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7349   -8.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1640   -5.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1640   -6.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4494   -5.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4494   -6.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7350   -5.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  1  1  6  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15  5  1  1  0  0  0
 16 17  1  0  0  0  0
 18 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
> <ID>
CHEBI:73818

> <NAME>
Arg-Phe

> <DEFINITION>
A dipeptide formed from L-arginine and L-phenylalanine residues. It exhibits vasorelaxant activity.

> <STAR>
3

> <SYNONYM>
RF; R-F; L-Arg-L-Phe; arginylphenylalanine; Arginyl-Phenylalanine

> <IUPAC_NAME>
L-arginyl-L-phenylalanine

> <FORMULA>
C15H23N5O3

> <MASS>
321.37480

> <MONOISOTOPIC_MASS>
321.18009

> <CHARGE>
0

> <SMILES>
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

> <INCHI>
InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)/t11-,12-/m0/s1

> <INCHIKEY>
PQBHGSGQZSOLIR-RYUDHWBXSA-N

> <CAS_REGISTRY_NUMBER>
2047-13-4

> <REAXYS_REGISTRY_NUMBER>
2777024

> <CHEMIDPLUS>
2047-13-4

> <PUBMED_CITATION>
22945436

$$$$