50922653
  -OEChem-05092401562D

 29 26  0     1  0  0  0  0  0999 V2000
    7.7331    0.4050    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.0950    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3312   -0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  2 28  1  0  0  0  0
  3 17  1  0  0  0  0
  3 29  1  0  0  0  0
  4 16  2  0  0  0  0
  5 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  2  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  CHG  5   1   2   6  -1   7  -1  10  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
50922653

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
127

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzPAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAQAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
copper;2-azanidyl-4-hydroxy-4-oxo-butanoate

> <PUBCHEM_IUPAC_CAS_NAME>
copper;2-azanidyl-4-hydroxy-4-oxobutanoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
copper;2-azanidyl-4-hydroxy-4-oxobutanoate

> <PUBCHEM_IUPAC_NAME>
copper;2-azanidyl-4-hydroxy-4-oxobutanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
copper;2-azanidyl-4-oxidanyl-4-oxidanylidene-butanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cupric;2-amidyl-4-hydroxy-4-keto-butyrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C4H6NO4.Cu/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H,6,7)(H,8,9);/q2*-1;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
FFPCGFWGVZRUBE-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
324.973312

> <PUBCHEM_MOLECULAR_FORMULA>
C8H10CuN2O8-2

> <PUBCHEM_MOLECULAR_WEIGHT>
325.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)[O-])[NH-])C(=O)O.C(C(C(=O)[O-])[NH-])C(=O)O.[Cu+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(C(=O)[O-])[NH-])C(=O)O.C(C(C(=O)[O-])[NH-])C(=O)O.[Cu+2]

> <PUBCHEM_CACTVS_TPSA>
157

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
324.973312

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  10  3
13  11  3

$$$$