Marvin  05131315592D          

 23 23  0  0  1  0            999 V2000
    9.1931   -9.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1931   -9.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   -8.6928    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9076   -8.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7641   -9.1054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   -7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365   -8.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365   -7.8679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6219   -9.1054    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0509   -9.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6219   -9.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7641   -7.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7641   -6.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0497   -7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3353   -7.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0497   -6.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3353   -6.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0509  -12.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365  -12.8179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0509  -11.5804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7654  -12.8179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365  -11.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365  -10.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  1  0  0  0
  6  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
  9  4  1  6  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 16 13  1  0  0  0  0
 15 14  2  0  0  0  0
 17 15  1  0  0  0  0
 17 16  2  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 23 11  1  0  0  0  0
M  END
> <ID>
CHEBI:73632

> <NAME>
Phe-Arg

> <DEFINITION>
A dipeptide composed of L-phenylalanine and L-arginine joined by a peptide linkage.

> <STAR>
3

> <SYNONYM>
L-Phe-L-Arg; FR; F-R

> <IUPAC_NAME>
L-phenylalanyl-L-arginine

> <FORMULA>
C15H23N5O3

> <MASS>
321.37480

> <MONOISOTOPIC_MASS>
321.18009

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C15H23N5O3/c16-11(9-10-5-2-1-3-6-10)13(21)20-12(14(22)23)7-4-8-19-15(17)18/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>
OZILORBBPKKGRI-RYUDHWBXSA-N

> <CAS_REGISTRY_NUMBER>
1238-09-1

> <REAXYS_REGISTRY_NUMBER>
2898673

> <CHEMIDPLUS>
1238-09-1

$$$$