54636312
  -OEChem-05092414462D

 73 75  0     1  0  0  0  0  0999 V2000
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   10.7712    3.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5071    4.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8978   -2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6314    1.5525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6061   -4.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7554    0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7635    1.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2247   -2.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7071   -4.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6353    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5032    3.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750    4.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0671    5.0839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
 13  2  1  1  0  0  0
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 10 60  1  0  0  0  0
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 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
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 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 21 23  1  0  0  0  0
 22 54  1  0  0  0  0
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 22 56  1  0  0  0  0
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 27 30  2  0  0  0  0
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 31 33  2  0  0  0  0
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 38 73  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54636312

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
804

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADTzhmA4zxoPABACIAiVSUAKCCAAlIgAIiAFObMiOJjbEtZ+HOWju9hPY6ae8yCCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4R,7R,8S)-N-(2-fluorophenyl)-8-methoxy-14-[(2-methoxyacetyl)amino]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(4R,7R,8S)-N-(2-fluorophenyl)-8-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>R</I>,7<I>R</I>,8<I>S</I>)-<I>N</I>-(2-fluorophenyl)-8-methoxy-14-[(2-methoxyacetyl)amino]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
(4R,7R,8S)-N-(2-fluorophenyl)-8-methoxy-14-[(2-methoxyacetyl)amino]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4R,7R,8S)-N-(2-fluorophenyl)-8-methoxy-14-(2-methoxyethanoylamino)-4,7,10-trimethyl-11-oxidanylidene-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4R,7R,8S)-N-(2-fluorophenyl)-11-keto-8-methoxy-14-[(2-methoxyacetyl)amino]-4,7,10-trimethyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H35FN4O6/c1-17-13-32(27(35)30-22-9-7-6-8-21(22)28)18(2)15-38-23-11-10-19(29-25(33)16-36-4)12-20(23)26(34)31(3)14-24(17)37-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,29,33)(H,30,35)/t17-,18-,24-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
UZDQNKRSXLMWHY-QZTZHPFYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
530.25406301

> <PUBCHEM_MOLECULAR_FORMULA>
C27H35FN4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
530.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CN(C(COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(CC1OC)C)C)C(=O)NC3=CC=CC=C3F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC3=CC=CC=C3F

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
530.25406301

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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>
12  17  5
16  19  6
13  2  5
23  24  8
23  26  8
24  27  8
26  29  8
27  30  8
28  31  8
28  32  8
29  30  8
31  33  8
32  34  8
33  36  8
34  36  8

$$$$