Marvin  07301317082D          

 19 19  0  0  1  0            999 V2000
   10.3550   -5.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3550   -6.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6404   -5.5153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0695   -5.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9259   -5.9280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6404   -4.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4983   -5.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4983   -4.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7838   -5.9280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2127   -5.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9259   -4.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7838   -6.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3548   -4.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4984   -7.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9273   -7.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9273   -7.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2128   -6.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2128   -8.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4984   -7.9906    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  6  1  0  0  0  0
  9 12  1  0  0  0  0
  6 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
 14 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
> <ID>
CHEBI:75016

> <NAME>
Val-Phe

> <DEFINITION>
A dipeptide formed from L-valine and L-phenylalanine residues.

> <STAR>
3

> <SYNONYM>
VF; N-Valylphenylalanine; L-Val-L-Phe

> <IUPAC_NAME>
L-valyl-L-phenylalanine

> <FORMULA>
C14H20N2O3

> <MASS>
264.32020

> <MONOISOTOPIC_MASS>
264.14739

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1

> <INCHIKEY>
GJNDXQBALKCYSZ-RYUDHWBXSA-N

> <CAS_REGISTRY_NUMBER>
75946-40-6

> <REAXYS_REGISTRY_NUMBER>
2946090

> <CHEMIDPLUS>
75946-40-6

$$$$