145457510
  CDK     1106201352

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.2224    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731    2.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1315    1.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8405   -2.1349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1753    2.1349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9204    2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8405    2.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5079   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5079    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1753   -2.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9600    1.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0 
  2 20  2  0  0  0  0 
  3 21  1  0  0  0  0 
  4 21  2  0  0  0  0 
  5  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  5 14  1  0  0  0  0 
 12  6  1  1  0  0  0 
  6 20  1  0  0  0  0 
  7 13  1  0  0  0  0 
  7 19  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 21  1  6  0  0  0 
  9 11  1  0  0  0  0 
 10 11  1  0  0  0  0 
 12 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 13 20  1  6  0  0  0 
 15 18  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:162445

> <NAME>
Pro-Leu-Pro

> <STAR>
2

> <IUPAC_NAME>
(2R)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

> <FORMULA>
C16H27N3O4

> <MASS>
325.409

> <MONOISOTOPIC_MASS>
325.20016

> <CHARGE>
0

> <SMILES>
O=C(N1[C@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@H]2NCCC2)CC(C)C

> <INCHI>
InChI=1S/C16H27N3O4/c1-10(2)9-12(18-14(20)11-5-3-7-17-11)15(21)19-8-4-6-13(19)16(22)23/h10-13,17H,3-9H2,1-2H3,(H,18,20)(H,22,23)/t11-,12-,13+/m0/s1

> <INCHIKEY>
MCWHYUWXVNRXFV-RWMBFGLXSA-N

$$$$