Mol:BMAXS6AMt004

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BMAXS6AMt004.png

 
 
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 25 26  0  0  1  0  0  0  0  0999 V2000 
    2.8660    5.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.5633    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    5.0633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3712   -6.0633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1802   -5.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.8712   -4.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -3.9367    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.2532   -4.5245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5622   -5.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5622   -5.4755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.8712   -4.5245    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    8.0622   -2.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -2.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    4.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    6.0633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1313   -5.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 18 19  1  0  0  0  0 
 16 11  1  1  0  0  0 
 19 20  1  0  0  0  0 
 11 10  1  0  0  0  0 
 20 21  1  0  0  0  0 
 10  9  1  0  0  0  0 
 21 24  2  0  0  0  0 
 21  8  1  0  0  0  0 
 15 14  1  1  0  0  0 
  8  6  1  0  0  0  0 
 14 13  1  0  0  0  0 
  6  5  1  0  0  0  0 
 12 13  1  0  0  0  0 
  5  4  1  0  0  0  0 
 12 16  1  0  0  0  0 
  4  3  1  0  0  0  0 
 10 25  2  0  0  0  0 
  3  2  1  0  0  0  0 
 12 17  1  1  0  0  0 
  2  1  1  0  0  0  0 
 15 16  1  0  0  0  0 
  2  7  1  1  0  0  0 
 17 18  1  0  0  0  0 
  1 22  1  0  0  0  0 
 15  9  1  0  0  0  0 
  1 23  2  0  0  0  0 
S  SKP  7 
ID	BMAXS6AMt004 
NAME	(2S) -2-Amino-6- [5- [(6S) -2-oxo-1,3,3a,4,6,6a-hexahydrothieno [3,4-d] imidazol-6-yl] pentanoylamino] hexanoic acid 
CAS_RN	 576-19-2 
FORMULA	C16H28N4O4S 
EXACTMASS	372.1831 
AVERAGEMASS	372.484 
SMILES	OC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05552 
M  END
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