Ketcher 05041612032D 1   1.00000     0.00000     0

 24 24  0     1  0            999 V2000
   23.9582  -14.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0921  -14.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0921  -15.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8242  -14.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9581  -16.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8241  -15.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5558  -21.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6901  -17.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6898  -22.3549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6901  -16.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5559  -20.8550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8240  -17.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4218  -22.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5561  -17.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9580  -17.3548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6899  -20.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8240  -18.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6899  -19.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0920  -17.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2260  -17.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0920  -18.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2260  -16.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3599  -17.8546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6902  -14.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  3 22  1  0     0  0
  4  1  1  0     0  0
 24  4  1  0     0  0
  5  3  2  0     0  0
  6  5  1  0     0  0
  4  6  2  0     0  0
  9  7  2  0     0  0
 11  7  1  0     0  0
 13  7  1  0     0  0
 12  8  1  0     0  0
 10  8  2  0     0  0
 14  8  1  0     0  0
 16 11  1  0     0  0
 17 12  1  0     0  0
 12 15  1  6     0  0
 19 15  1  0     0  0
 18 16  1  0     0  0
 18 17  1  0     0  0
 20 19  1  0     0  0
 21 19  2  0     0  0
 22 20  1  0     0  0
 20 23  1  1     0  0
M  END
> <ID>
CHEBI:17537

> <NAME>
Tyr-Arg

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6316; CHEBI:13184; CHEBI:21416

> <SYNONYM>
Tyr-Arg; N(2)-L-tyrosyl-L-arginine; L-Tyrosyl-L-arginine; L-Tyrosyl-L-arginine; Kyotorphin

> <IUPAC_NAME>
L-tyrosyl-L-arginine

> <FORMULA>
C15H23N5O4; C15H23N5O4

> <MASS>
337.375

> <MONOISOTOPIC_MASS>
337.17500

> <CHARGE>
0

> <SMILES>
C1=CC(C[C@@H](C(N[C@H](C(=O)O)CCCNC(=N)N)=O)N)=CC=C1O

> <INCHI>
InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1

> <INCHIKEY>
JXNRXNCCROJZFB-RYUDHWBXSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2676962

> <CAS_REGISTRY_NUMBER>
70904-56-2

> <CHEMIDPLUS>
70904-56-2

> <KEGG_COMPOUND_ACCESSION>
C02993

$$$$