21777566
  CDK     0609212310

 17 17  0  0  0  0  0  0  0  0999 V2000
    7.1754    1.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -0.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0303    0.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    1.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2779   -0.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2127    0.4845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6104    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8654    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6904    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9454    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258   -0.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4280    0.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   -0.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3003   -1.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587   -0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8149    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  2 11  2  0  0  0  0 
  3 17  1  0  0  0  0 
  4 17  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 17  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:176441

> <NAME>
Hydroxyprolyl-Leucine

> <STAR>
2

> <IUPAC_NAME>
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid

> <FORMULA>
C11H20N2O4

> <MASS>
244.291

> <MONOISOTOPIC_MASS>
244.14231

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C11H20N2O4/c1-6(2)3-9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)

> <INCHIKEY>
LQFJGLSIESIIOM-UHFFFAOYSA-N

$$$$