46847932
  -OEChem-04242417152D

 43 46  0     1  0  0  0  0  0999 V2000
    3.0437   -5.0027    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.6140    5.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5080    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840    4.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598   -4.1909    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436   -0.3671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5081    3.4403    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    2.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290    1.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5228    0.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9980    2.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160    4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    4.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976   -0.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990   -1.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4880    1.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7289   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444   -2.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708   -3.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436   -3.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636    1.7672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925    0.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683    2.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776    2.9616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980    5.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068    4.3595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4802   -0.6375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    2.0246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1719    1.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0214    1.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118    2.8883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -2.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914   -2.1078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3095   -3.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  9  3  1  1  0  0  0
  3 40  1  0  0  0  0
  4 17  2  0  0  0  0
  5 20  2  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8 16  1  0  0  0  0
  8 24  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 18 23  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
46847932

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
781

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OCAAAAAAAAAAAAAAAAAAAWAAAAA8QIEAAAAAAFix8AAAHgAACAAADEzhngYyzvMIFgCoAyXyXAKCgCAhIiAImCF+bNgJZvbA8ZOWcAhm5hHL+QewwPAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-olate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-olate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;(19<I>S</I>)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0<SUP>2,11</SUP>.0<SUP>4,9</SUP>.0<SUP>15,20</SUP>]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-olate

> <PUBCHEM_IUPAC_NAME>
sodium;(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;(19S)-19-ethyl-19-oxidanyl-14,18-bis(oxidanylidene)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;(19S)-19-ethyl-19-hydroxy-14,18-diketo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16N2O5.Na/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25;/h3-7,23,26H,2,8-9H2,1H3;/q;+1/p-1/t20-;/m0./s1

> <PUBCHEM_IUPAC_INCHIKEY>
SJLQGJWBMLVJPE-BDQAORGHSA-M

> <PUBCHEM_EXACT_MASS>
386.08786587

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15N2NaO5

> <PUBCHEM_MOLECULAR_WEIGHT>
386.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)[O-])O.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)[O-])O.[Na+]

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.08786587

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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_NONSTANDARDBOND>
1  6  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  14  8
11  14  8
12  17  8
15  16  8
15  21  8
21  22  8
22  24  8
22  25  8
24  26  8
25  27  8
26  28  8
27  28  8
9  3  5
7  11  8
7  17  8
8  16  8
8  24  8

$$$$