76895453
  CDK     0602212311

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.1298    1.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6088   -1.0279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265   -0.9857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8242   -1.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2324   -0.4509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    0.3311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174    0.8582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -0.4113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5649    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8199    0.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6449    0.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8998    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7803   -0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7695    0.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    0.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2110   -0.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299   -0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  2 13  2  0  0  0  0 
  3 17  1  0  0  0  0 
  4 17  2  0  0  0  0 
  5  9  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
  6 14  1  0  0  0  0 
  7 16  1  0  0  0  0 
  7 19  1  0  0  0  0 
  8 18  1  0  0  0  0 
  8 19  2  0  0  0  0 
  9 10  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 18  2  0  0  0  0 
M  END
> <ID>
CHEBI:174533

> <NAME>
Hydroxyprolyl-Histidine

> <STAR>
2

> <IUPAC_NAME>
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

> <FORMULA>
C11H16N4O4

> <MASS>
268.273

> <MONOISOTOPIC_MASS>
268.11716

> <CHARGE>
0

> <SMILES>
OC1CC(NC1)C(=O)NC(CC=2NC=NC2)C(O)=O

> <INCHI>
InChI=1S/C11H16N4O4/c16-7-2-8(13-4-7)10(17)15-9(11(18)19)1-6-3-12-5-14-6/h3,5,7-9,13,16H,1-2,4H2,(H,12,14)(H,15,17)(H,18,19)

> <INCHIKEY>
JZJSKYCAKGGJBO-UHFFFAOYSA-N

$$$$