15051751
  -OEChem-04252406512D

 67 72  0     1  0  0  0  0  0999 V2000
    5.1991    3.9466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4180    1.0321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8919   -0.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4359   -1.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0994    0.7163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8352   -1.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6549    4.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7235    1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    0.6936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9357    2.9640    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1056   -1.7925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328   -0.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4558    1.1324    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6268    1.6916    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6769    1.9981    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9024    2.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9485    1.2034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7257    1.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9976   -0.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3673    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0009    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7519    1.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103    3.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4136    2.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0403    3.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9442   -1.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    4.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0852    0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1579   -2.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4186   -0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3192   -3.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0489   -3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0569    0.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7661   -1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3716   -4.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1012   -4.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -4.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0427    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7519   -1.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3902   -0.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7721    0.5992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    1.7993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974    3.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2881    2.7366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5149    0.9512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3855    0.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8196   -0.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8564    0.5937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0432    0.5528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -0.0224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9568   -0.6842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7814    4.1620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0256    2.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4422    4.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531   -1.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0370   -0.8665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7668   -3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5689   -2.9074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8414    0.7941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3704   -1.9720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8516   -4.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537   -4.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2950   -5.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4384    0.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9674   -2.2439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0014   -0.9968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  2 49  1  0  0  0  0
  3 21  1  0  0  0  0
  3 27  1  0  0  0  0
  4 19  2  0  0  0  0
  5 22  1  0  0  0  0
  5 29  1  0  0  0  0
  6 27  2  0  0  0  0
  7 28  2  0  0  0  0
  8 29  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 16  1  0  0  0  0
 10 20  1  0  0  0  0
 11 27  1  0  0  0  0
 11 30  1  0  0  0  0
 11 56  1  0  0  0  0
 12 29  1  0  0  0  0
 12 31  1  0  0  0  0
 12 57  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 25  2  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 26  2  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  1  0  0  0  0
 28 55  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
 32 58  1  0  0  0  0
 33 37  2  0  0  0  0
 33 59  1  0  0  0  0
 34 39  1  0  0  0  0
 34 60  1  0  0  0  0
 35 40  2  0  0  0  0
 35 61  1  0  0  0  0
 36 38  2  0  0  0  0
 36 62  1  0  0  0  0
 37 38  1  0  0  0  0
 37 63  1  0  0  0  0
 38 64  1  0  0  0  0
 39 41  2  0  0  0  0
 39 65  1  0  0  0  0
 40 41  1  0  0  0  0
 40 66  1  0  0  0  0
 41 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15051751

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1020

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7vAAAAAAAAAAAAAAAFgAAAAAAAAA8eMECBYAWAACxUAAAHgAUCAAADSzhmAYyzoPQBgCIAi1S2ACCCAAlIgAoiAEObMkOZjLE9Zuccyhn1hnY6Yf+2POOwAABQgAKAACAAAKEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[11-acetyl-4-formyl-9-hydroxy-6-(phenylcarbamoyloxy)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl N-phenylcarbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-phenylcarbamic acid [11-acetyl-6-[anilino(oxo)methoxy]-4-formyl-9-hydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[11-acetyl-4-formyl-9-hydroxy-6-(phenylcarbamoyloxy)-14-oxa-1,11-diazatetracyclo[7.4.1.0<SUP>2,7</SUP>.0<SUP>10,12</SUP>]tetradeca-2(7),3,5-trien-8-yl]methyl <I>N</I>-phenylcarbamate

> <PUBCHEM_IUPAC_NAME>
[11-acetyl-4-formyl-9-hydroxy-6-(phenylcarbamoyloxy)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl N-phenylcarbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[11-ethanoyl-4-methanoyl-9-oxidanyl-6-(phenylcarbamoyloxy)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl N-phenylcarbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-phenylcarbamic acid [11-acetyl-4-formyl-9-hydroxy-6-(phenylcarbamoyloxy)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H26N4O8/c1-17(35)33-23-14-32-22-12-18(15-34)13-24(40-28(37)31-20-10-6-3-7-11-20)25(22)21(29(38,41-32)26(23)33)16-39-27(36)30-19-8-4-2-5-9-19/h2-13,15,21,23,26,38H,14,16H2,1H3,(H,30,36)(H,31,37)

> <PUBCHEM_IUPAC_INCHIKEY>
JDCHMSZNBQUMDR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
558.17506380

> <PUBCHEM_MOLECULAR_FORMULA>
C29H26N4O8

> <PUBCHEM_MOLECULAR_WEIGHT>
558.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4OC(=O)NC5=CC=CC=C5)C=O)N(C2)O3)COC(=O)NC6=CC=CC=C6)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4OC(=O)NC5=CC=CC=C5)C=O)N(C2)O3)COC(=O)NC6=CC=CC=C6)O

> <PUBCHEM_CACTVS_TPSA>
147

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
558.17506380

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  16  3
17  21  3
18  20  8
18  22  8
15  2  3
20  24  8
22  25  8
24  26  8
25  26  8
30  32  8
30  33  8
31  34  8
31  35  8
32  36  8
33  37  8
34  39  8
35  40  8
36  38  8
37  38  8
39  41  8
40  41  8
13  9  3

$$$$