68632
  -OEChem-05221315202D

 50 52  0     1  0  0  0  0  0999 V2000
    7.6283    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    7.6794    4.2633    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0144    2.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706    3.6225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3193    0.9511    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9666    1.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7284    2.9543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0144    4.6670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    6.1102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7284    3.9543    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7201    3.9584    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6794    2.6453    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2672    3.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7201    2.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1729    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0264    4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743    5.4045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0762    4.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0762    2.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6287    6.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1603    5.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9884    1.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869    5.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9560    4.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2304    6.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9686    4.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    6.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122    5.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6048    4.7447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470    3.7217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2410    2.2069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3839    5.9946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1871    6.7227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4406    3.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7118    4.5437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5778    4.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4406    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5778    2.5021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7118    2.3649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0769    6.8270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1806    6.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9113    7.0963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    6.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7724    5.3976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    4.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770    4.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    6.9783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5774    4.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0221    7.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  2  0  0  0  0
  4 16  2  0  0  0  0
  5 22  1  0  0  0  0
  6 22  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  6  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  6  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  1  0  0  0
 17 32  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  2  0  0  0  0
 25 47  1  0  0  0  0
 26 28  2  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  CHG  2   1   1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
68632

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
683

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAQAAAAAAAAAAAAABYAWLAAAAwAAAABYAAAAABAAAAHgQQAAAADCjF2ASzCIPAAAiIAiHSGACCAABgABAIiIGIBIiKYDqglTGUIAhslwK4iAcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;(2S,5R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenyl-imidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;(2S,5R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
potassium;(2S,5R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;(2S,5R)-6-[(4R)-2,2-dimethyl-5-oxidanylidene-4-phenyl-imidazolidin-1-yl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;(2S,5R)-7-keto-6-[(4R)-5-keto-2,2-dimethyl-4-phenyl-imidazolidin-1-yl]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12?,13+,16-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
QRSPJBLLJXVPDD-MABVEAAUSA-M

> <PUBCHEM_EXACT_MASS>
427.096809

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22KN3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
427.55898

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1([C@@H](N2[C@H](S1)C(C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
427.096809

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  29  6
12  22  6
17  23  5
23  24  8
23  25  8
24  26  8
25  27  8
26  28  8
27  28  8
11  8  3

$$$$