10439129
  -OEChem-04232416532D

 54 56  0     1  0  0  0  0  0999 V2000
    8.5034   -3.1952    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.6124   -2.7412    0.0000 Pd  0  3  0  0  0  0  0  0  0  0  0  0
    5.7583    1.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4949   -0.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592   -2.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5587   -1.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9951   -2.9816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6586   -1.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2141    2.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8639    3.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1160   -1.2538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4949    1.0166    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.0150   -0.8150    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1860   -0.2558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2360    0.0507    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4616    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5077   -0.7440    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2849   -0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9265    0.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568   -2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5601   -1.7426    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    9.3111   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5695    1.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723   -1.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9728    0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5995    1.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1033   -2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2258    2.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6444   -1.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8404    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1039   -1.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    0.2195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4566    1.3255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8473    0.7893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0741   -0.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9409   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    2.2147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5104   -1.5595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102   -2.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342   -2.0836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5848    0.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -2.4954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -3.3561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5140   -3.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5834   -2.8666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4410   -3.0489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6233   -2.1912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5404   -2.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2556   -1.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7485   -0.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3238    2.5016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288    3.3733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3571    3.2783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  1  0  0  0  0
  4 24  1  0  0  0  0
  5 20  1  0  0  0  0
  5 27  1  0  0  0  0
  6 21  1  0  0  0  0
  6 28  1  0  0  0  0
  7 20  2  0  0  0  0
  8 22  1  0  0  0  0
  8 30  1  0  0  0  0
  9 29  1  0  0  0  0
  9 31  1  0  0  0  0
 10 29  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  6  0  0  0
 14 16  1  0  0  0  0
 14 33  1  6  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 29  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  CHG  2   2   1  21  -1
M  END
> <PUBCHEM_COMPOUND_CID>
10439129

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
675

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7PAAAAgAAAAgAAAAAFgAAAAAAAAA8WIAABYAWAACxAAAAHgAEAAAADSzhmAYyzoMQBACIAiTSWACCCAAlIgAgiAEObMgeZjLE9ZuVMShnxhnY6Yf+2POOwAABQgAKAACAAAKEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dimethyl (10S,12S)-6,9-dimethoxy-8-(methoxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylate;iodopalladium(1+)

> <PUBCHEM_IUPAC_CAS_NAME>
(10S,12S)-6,9-dimethoxy-8-(methoxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylic acid dimethyl ester;iodopalladium(1+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
dimethyl (10<I>S</I>,12<I>S</I>)-6,9-dimethoxy-8-(methoxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.0<SUP>2,7</SUP>.0<SUP>10,12</SUP>]tetradeca-2(7),3,5-triene-4,11-dicarboxylate;iodopalladium(1+)

> <PUBCHEM_IUPAC_NAME>
dimethyl (10S,12S)-6,9-dimethoxy-8-(methoxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylate;iodopalladium(1+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dimethyl (10S,12S)-6,9-dimethoxy-8-(methoxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylate;iodanylpalladium(1+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(10S,12S)-6,9-dimethoxy-8-(methoxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylic acid dimethyl ester;iodopalladium(1+)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N2O8.HI.Pd/c1-24-9-11-15-12(6-10(17(22)26-3)7-14(15)25-2)20-8-13-16(19(11,28-5)29-20)21(13)18(23)27-4;;/h6-7,9,11,13,16H,8H2,1-5H3;1H;/q-1;;+2/p-1/t11?,13-,16-,19?,21?;;/m0../s1

> <PUBCHEM_IUPAC_INCHIKEY>
PNNGSXFFDLYZCK-LRHSUFHSSA-M

> <PUBCHEM_EXACT_MASS>
639.95339

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23IN2O8Pd

> <PUBCHEM_MOLECULAR_WEIGHT>
640.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CO[CH-]C1C2=C(C=C(C=C2OC)C(=O)OC)N3CC4C(C1(O3)OC)N4C(=O)OC.[Pd+]I

> <PUBCHEM_OPENEYE_ISO_SMILES>
CO[CH-]C1C2=C(C=C(C=C2OC)C(=O)OC)N3C[C@H]4[C@@H](C1(O3)OC)N4C(=O)OC.[Pd+]I

> <PUBCHEM_CACTVS_TPSA>
95.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
639.95339

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
2  21  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  32  6
14  33  6
17  21  3
18  19  8
18  22  8
19  23  8
22  25  8
23  26  8
25  26  8
15  4  3

$$$$