CDK     1028232202

 26 26  0  0  0  0  0  0  0  0999 V2000
    8.2719   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9863   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7008   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9863   -1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3989   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5738   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7159   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   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 C   0  0  0  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
    1.4290   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   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 O   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  1  0  0  0 
  4  5  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  7  1  6  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
 10  9  1  6  0  0  0 
 10 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  2  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 22 21  1  0  0  0  0 
 22 23  1  6  0  0  0 
 22 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 24 26  1  0  0  0  0 
  5  6  1  0  0  0  0 
M  END
> <ID>
CHEBI:199239

> <NAME>
AM4299B

> <STAR>
2

> <IUPAC_NAME>
(2R,3R)-3-[[(2S)-1-[[(5S)-5-amino-5-carboxypentyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

> <FORMULA>
C16H27N3O7

> <MASS>
373.406

> <MONOISOTOPIC_MASS>
373.18490

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C16H27N3O7/c1-8(2)7-10(19-14(21)11-12(26-11)16(24)25)13(20)18-6-4-3-5-9(17)15(22)23/h8-12H,3-7,17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t9-,10-,11+,12+/m0/s1

> <INCHIKEY>
ZVGQDSFLALZVNS-NNYUYHANSA-N

$$$$