11762918
  -OEChem-08092309022D

 62 67  0     1  0  0  0  0  0999 V2000
    4.8045    0.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9274    4.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8196    2.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    2.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8271    3.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2655   -0.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6779   -2.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1893   -3.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5305    0.8895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1152    2.8614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1655    0.4545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9274    1.0566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1366    0.0848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1899    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1254   -0.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7935    1.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    1.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7935    2.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1152    1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5316    2.0566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9274    3.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5090    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226    1.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226    2.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1768    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9676   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5707   -0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8264   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5212   -0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326   -2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7274   -1.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831   -2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2160   -0.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8841   -3.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4450   -4.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9615   -0.7469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7004    0.7699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9003   -0.1588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9966   -0.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150   -0.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3304    2.8666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226    3.4507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3581    1.9704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    1.1044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    0.9673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4755    0.9915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4004   -0.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    3.1899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    2.3239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5711   -2.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0234   -0.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8053   -0.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4086    0.1826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2775   -3.1595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0120   -3.6383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4908   -2.9038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310   -3.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835   -4.4707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8591   -4.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 22  2  0  0  0  0
  3 23  2  0  0  0  0
  4 25  1  0  0  0  0
  4 30  1  0  0  0  0
  5 25  2  0  0  0  0
  6 31  1  0  0  0  0
  6 35  1  0  0  0  0
  7 33  1  0  0  0  0
  7 36  1  0  0  0  0
  8 34  1  0  0  0  0
  8 37  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 23  1  0  0  0  0
 10 18  1  0  0  0  0
 10 21  1  0  0  0  0
 10 44  1  0  0  0  0
 11 26  1  0  0  0  0
 11 28  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  6  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  1  1  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 26 27  2  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  2  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 53  1  0  0  0  0
 33 34  2  0  0  0  0
 35 54  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  1  0  0  0  0
 36 59  1  0  0  0  0
 37 60  1  0  0  0  0
 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11762918

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1160

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7PAAAAAAAAAAAAAAAGAAAAWLEAAA8QIAAAAAAAFiB8AAAHgAQAAAAD4zBngYyzvPJlACoA6XyXASCiCAnYiAAmSG/7NgPZ/bMtbuVMSpn9h3a6ce8+f+foEABCgACUABAgAIUAASgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl (1R,4R,12S)-4-methyl-3,7-dioxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4R,12S)-4-methyl-3,7-dioxo-10-[oxo-(5,6,7-trimethoxy-1H-indol-2-yl)methyl]-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl (1<I>R</I>,4<I>R</I>,12<I>S</I>)-4-methyl-3,7-dioxo-10-(5,6,7-trimethoxy-1<I>H</I>-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.0<SUP>1,12</SUP>.0<SUP>2,6</SUP>]trideca-2(6),8-diene-4-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl (1R,4R,12S)-4-methyl-3,7-dioxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl (1R,4R,12S)-4-methyl-3,7-bis(oxidanylidene)-10-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4R,12S)-3,7-diketo-4-methyl-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H25N3O8/c1-25(24(33)37-5)22(31)17-19(28-25)14(30)8-16-26(17)9-12(26)10-29(16)23(32)13-6-11-7-15(34-2)20(35-3)21(36-4)18(11)27-13/h6-8,12,27-28H,9-10H2,1-5H3/t12-,25-,26+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
AZVARJHZBXHUSO-DZQVEHCYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
507.16416476

> <PUBCHEM_MOLECULAR_FORMULA>
C26H25N3O8

> <PUBCHEM_MOLECULAR_WEIGHT>
507.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(=O)C2=C(N1)C(=O)C=C3C24CC4CN3C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]1(C(=O)C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
136

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
507.16416476

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
12

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  26  8
11  28  8
12  14  5
13  38  6
21  24  5
26  27  8
27  29  8
28  29  8
28  31  8
29  32  8
31  33  8
32  34  8
33  34  8

$$$$
