CDK     1028232202

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.8579   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3261   -0.3355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6587    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8782    0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6986    0.1913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  4  2  1  6  0  0  0 
  5  3  1  6  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  9  5  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
  9 14  1  1  0  0  0 
  9 15  1  0  0  0  0 
 10 16  1  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:199925

> <NAME>
(2S,3R)-2-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-3-hydroxybutanoic acid

> <STAR>
2

> <IUPAC_NAME>
(2S,3R)-2-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-3-hydroxybutanoic acid

> <FORMULA>
C9H15N3O4

> <MASS>
229.236

> <MONOISOTOPIC_MASS>
229.10626

> <CHARGE>
0

> <SMILES>
O=C(N[C@H](C(=O)O)[C@H](O)C)[C@H]1N=C(N)CC1

> <INCHI>
InChI=1S/C9H15N3O4/c1-4(13)7(9(15)16)12-8(14)5-2-3-6(10)11-5/h4-5,7,13H,2-3H2,1H3,(H2,10,11)(H,12,14)(H,15,16)/t4-,5+,7+/m1/s1

> <INCHIKEY>
ANGMEMGHOYIQDH-ZDLURKLDSA-N

$$$$