16717692
  -OEChem-05122405532D

 74 76  0     1  0  0  0  0  0999 V2000
    6.5691   -0.1010    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
   13.7796   -1.0387    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.1914   -3.6664    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.9191   -4.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1985   -3.5477    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.4041   -1.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9136   -0.5387    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0475   -2.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5908   -1.3875    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    8.0035   -0.0992    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.1763   -0.0992    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.5594    1.1892    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    7.3453   -1.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5690   -0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2872   -1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8362   -1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424   -0.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424    0.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    1.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8049    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8119   -2.5098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1198   -2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495   -0.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9259   -1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2556    1.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8945    1.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8485   -3.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0303    2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883    2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3155   -1.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5312   -3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2452    1.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8048   -2.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9362    0.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6059    3.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4955    3.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1815   -0.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966    4.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0475   -1.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1397   -1.9835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4702   -2.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    1.9933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4597    1.9762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9169   -1.5136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7140   -1.5136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0299   -3.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -4.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0324   -4.0368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6207    0.5153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7386    1.3842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8698    1.5021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    1.3526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    0.4838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1129    3.1574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    4.0213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0989    3.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793    3.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5800   -0.0638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7830   -0.0637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5128    4.4866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290    4.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 31  2  0  0  0  0
  5 39  1  0  0  0  0
  6 39  2  0  0  0  0
  7 46  1  0  0  0  0
  8 46  2  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 26  2  0  0  0  0
 17 27  2  0  0  0  0
 17 28  1  0  0  0  0
 18 26  1  0  0  0  0
 18 29  2  0  0  0  0
 19 24  2  0  0  0  0
 19 31  1  0  0  0  0
 20 30  1  0  0  0  0
 20 32  2  0  0  0  0
 21 28  2  0  0  0  0
 21 33  1  0  0  0  0
 22 30  2  0  0  0  0
 22 34  1  0  0  0  0
 23 31  1  0  0  0  0
 23 39  1  0  0  0  0
 23 47  1  0  0  0  0
 24 36  1  0  0  0  0
 25 27  1  0  0  0  0
 25 35  1  0  0  0  0
 26 48  1  0  0  0  0
 27 38  1  0  0  0  0
 28 49  1  0  0  0  0
 29 32  1  0  0  0  0
 29 37  1  0  0  0  0
 30 50  1  0  0  0  0
 32 40  1  0  0  0  0
 33 34  2  0  0  0  0
 33 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 43  1  0  0  0  0
 35 51  1  0  0  0  0
 35 52  1  0  0  0  0
 36 53  1  0  0  0  0
 36 54  1  0  0  0  0
 36 55  1  0  0  0  0
 37 44  1  0  0  0  0
 37 56  1  0  0  0  0
 37 57  1  0  0  0  0
 38 58  1  0  0  0  0
 38 59  1  0  0  0  0
 38 60  1  0  0  0  0
 40 61  1  0  0  0  0
 40 62  1  0  0  0  0
 40 63  1  0  0  0  0
 41 64  1  0  0  0  0
 41 65  1  0  0  0  0
 41 66  1  0  0  0  0
 42 45  2  0  0  0  0
 42 67  1  0  0  0  0
 43 46  1  0  0  0  0
 43 68  1  0  0  0  0
 43 69  1  0  0  0  0
 44 70  1  0  0  0  0
 44 71  1  0  0  0  0
 44 72  1  0  0  0  0
 45 73  1  0  0  0  0
 45 74  1  0  0  0  0
M  CHG  8   2   1   3   1   5  -1   7  -1   9  -1  10  -1  11  -1  12  -1
M  END
> <PUBCHEM_COMPOUND_CID>
16717692

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1510

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB/uDAAAAAEAAAAAAAAAAAAAWLECBAgQIEAAAAQAFiB4AAAHgAAAAAADQyBngACiJIIEACoA6TyTACCgCAhAiAImCEwRNgIIH7IkJGEAAhk4ADIyQe82fOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;(8Z,14Z,18Z)-22-(2-carboxylatoethyl)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-16-vinyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(22),2(6),5(26),8,10,12,14,16,18,20-decaene-3-carboxylate;copper

> <PUBCHEM_IUPAC_CAS_NAME>
disodium;(8Z,14Z,18Z)-22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(22),2(6),5(26),8,10,12,14,16,18,20-decaene-3-carboxylate;copper

> <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;(8<I>Z</I>,14<I>Z</I>,18<I>Z</I>)-22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.1<SUP>5,8</SUP>.1<SUP>10,13</SUP>.1<SUP>15,18</SUP>.0<SUP>2,6</SUP>]hexacosa-1(22),2(6),5(26),8,10,12,14,16,18,20-decaene-3-carboxylate;copper

> <PUBCHEM_IUPAC_NAME>
disodium;(8Z,14Z,18Z)-22-(2-carboxylatoethyl)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(22),2(6),5(26),8,10,12,14,16,18,20-decaene-3-carboxylate;copper

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;copper;(8Z,14Z,18Z)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-22-(3-oxidanidyl-3-oxidanylidene-propyl)-4-oxidanylidene-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(22),2(6),5(26),8,10,12,14,16,18,20-decaene-3-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;(8Z,14Z,18Z)-22-(2-carboxylatoethyl)-11-ethyl-4-keto-12,17,21,26-tetramethyl-16-vinyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(22),2(6),5(26),8,10,12,14,16,18,20-decaene-3-carboxylate;copper

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C34H33N4O5.Cu.2Na/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(39)40)31(37-23)29-30(34(42)43)33(41)28-17(6)24(38-32(28)29)13-26-19(8-2)15(4)22(36-26)12-25(18)35-21;;;/h7,11-13,30H,1,8-10H2,2-6H3,(H5-,35,36,37,38,39,40,41,42,43);;;/q-1;;2*+1/p-5/b21-11-,22-12?,23-11?,24-13-,25-12-,26-13?,31-29?;;;

> <PUBCHEM_IUPAC_INCHIKEY>
XSEXFOMVYDMIDW-WSXKCGQDSA-I

> <PUBCHEM_EXACT_MASS>
681.115106

> <PUBCHEM_MOLECULAR_FORMULA>
C34H28CuN4Na2O5-4

> <PUBCHEM_MOLECULAR_WEIGHT>
682.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=C2C=C3C(=C4C(=O)C(C(=C4[N-]3)C5=C(C(=C([N-]5)C=C6C(=C(C(=CC(=C1C)[N-]2)[N-]6)C=C)C)C)CCC(=O)[O-])C(=O)[O-])C.[Na+].[Na+].[Cu]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=C2/C=C\3/C(=C4C(=O)C(C(=C4[N-]3)C5=C(C(=C([N-]5)/C=C\6/C(=C(/C(=C/C(=C1C)[N-]2)/[N-]6)C=C)C)C)CCC(=O)[O-])C(=O)[O-])C.[Na+].[Na+].[Cu]

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
681.115106

> <PUBCHEM_TOTAL_CHARGE>
-4

> <PUBCHEM_HEAVY_ATOM_COUNT>
46

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
15

> <PUBCHEM_NONSTANDARDBOND>
1  10  6
1  11  6
1  12  6
1  9  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
10  17  8
11  18  8
11  20  8
12  21  8
12  22  8
13  19  8
14  25  8
16  24  8
17  27  8
18  29  8
19  24  8
20  32  8
21  33  8
22  34  8
23  39  3
25  27  8
29  32  8
33  34  8
9  13  8
9  16  8

$$$$