60193224
  -OEChem-05092409242D

 58 59  0     1  0  0  0  0  0999 V2000
    8.8975    5.3690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8937    4.3651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8937    4.3728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1980   -0.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1578    3.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.9048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -2.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0180    1.8723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.6369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5000   -3.6369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0000   -2.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5000   -0.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320   -1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5074   -3.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320   -0.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -5.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1420    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    1.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1501    1.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2480    1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0219    2.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8898    3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8937    4.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -3.6369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900   -4.1738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -2.3723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -3.1694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923   -2.1603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4384   -3.2093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -4.1929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -5.0399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -4.8129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -1.5758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -1.9048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    0.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    0.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.0388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318   -3.4358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9051   -3.5138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9831   -2.6404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631   -5.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900   -5.9059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0369   -5.6790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6754    0.0179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8095    1.6725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2456    2.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5538    1.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0996    2.7855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5008    3.4743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
 12  4  1  6  0  0  0
  4 23  1  0  0  0  0
  5 17  1  0  0  0  0
  5 22  1  0  0  0  0
  6 19  2  0  0  0  0
  7 28  2  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 41  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 26  1  0  0  0  0
 10 28  1  0  0  0  0
 10 56  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  1  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  6  0  0  0
 16 40  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  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 27  2  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60193224

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
590

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwAQAAAADTzhmBYyxoPABACIAiVSUACCCAAlIgAIiIEObMgOJjbEtZuHOWjm9hHY6Ye8yCCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,3,3-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3,3,3-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,3,3-trifluoro-<I>N</I>-[(4<I>R</I>,7<I>S</I>,8<I>R</I>)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide

> <PUBCHEM_IUPAC_NAME>
3,3,3-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3,3-tris(fluoranyl)-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxidanylidene-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,3,3-trifluoro-N-[(4R,7S,8R)-11-keto-8-methoxy-4,7,10-trimethyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H28F3N3O4/c1-12-9-24-13(2)11-30-16-6-5-14(25-18(27)8-20(21,22)23)7-15(16)19(28)26(3)10-17(12)29-4/h5-7,12-13,17,24H,8-11H2,1-4H3,(H,25,27)/t12-,13+,17-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YQVKZTUSIXSYJG-AHIWAGSCSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
431.20319087

> <PUBCHEM_MOLECULAR_FORMULA>
C20H28F3N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
431.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CNC(COC2=C(C=C(C=C2)NC(=O)CC(F)(F)F)C(=O)N(CC1OC)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C

> <PUBCHEM_CACTVS_TPSA>
79.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
431.20319087

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  5
16  18  6
21  22  8
21  24  8
22  25  8
24  26  8
25  27  8
26  27  8
12  4  6

$$$$