null
  CDK     0225161912
null
 24 27  0  0  0  0  0  0  0  0999 V2000
    4.4318    1.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2183    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    1.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -0.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924    0.9760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5635    0.9760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2615    0.9760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2615    1.8010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5635    1.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    3.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314    3.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314   -0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147   -0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0116   -0.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251    0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6418    0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -1.3575    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  1  1  0  0  0  0 
  3  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9  8  1  1  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  9  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 15  7  1  0  0  0  0 
 11 16  1  6  0  0  0 
 16 17  1  0  0  0  0 
 10 18  1  1  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 18  1  0  0  0  0 
 21 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:125994

> <NAME>
(6R,7R,8R)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

> <STAR>
2

> <FORMULA>
C18H21BrN2O3

> <MASS>
393.275

> <MONOISOTOPIC_MASS>
392.07356

> <CHARGE>
0

> <SMILES>
C1CC(C1)C(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br

> <INCHI>
InChI=1S/C18H21BrN2O3/c19-13-6-4-11(5-7-13)17-14-8-20(18(24)12-2-1-3-12)9-16(23)21(14)15(17)10-22/h4-7,12,14-15,17,22H,1-3,8-10H2/t14-,15-,17+/m0/s1

> <INCHIKEY>
UUBPIIFPPMSEHX-YQQAZPJKSA-N

> <LINCS_ACCESSION>
LSM-37561

$$$$