117888634
  -OEChem-08092309032D

 60 65  0     1  0  0  0  0  0999 V2000
    8.7817    4.0867    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338   -3.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8314   -0.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5758   -3.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309   -1.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4077   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7526   -1.4871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0845    1.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989   -1.4468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8166    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105   -0.4469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9505   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8166    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6166    0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7413   -1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0845    0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105    1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6166    1.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3475   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9505    1.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050   -1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.1613    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3194   -0.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1270   -2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1577   -2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    2.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9493    2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073   -3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7493   -0.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8013    3.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5223    3.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5591   -1.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6671    0.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476   -2.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2444   -0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8256   -0.5168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2274    0.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7404   -2.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578   -1.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2274    1.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8256    1.6923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733    0.1129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1584   -1.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4101    2.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3431   -3.7159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0683   -3.3821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6057    0.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1304   -0.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8493    2.6141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0490    3.4678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1953    3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4006   -4.0867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 29  1  0  0  0  0
  2 32  1  0  0  0  0
 23  3  1  1  0  0  0
  3 54  1  0  0  0  0
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  5 32  2  0  0  0  0
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  7 36  1  0  0  0  0
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  8 26  1  0  0  0  0
  9 17  2  0  0  0  0
  9 21  1  0  0  0  0
 12 10  1  6  0  0  0
 10 34  1  0  0  0  0
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 12 37  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
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 33 53  1  0  0  0  0
 34 36  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
117888634

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1080

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQAAAAAAAAAAAAAAAAAAAWAAAAA8YIECAAAAAFjx8AAAHwAQCAAADGzhng4yyPPIFgCoAyXyXAKCgCAhAiAAmKF4ZNgLdHbA8JGWcAhm9gDb+QcQgMAOiAACQAASAAAQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxy-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(10<I>S</I>,23<I>S</I>)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0<SUP>2,14</SUP>.0<SUP>4,13</SUP>.0<SUP>6,11</SUP>.0<SUP>20,24</SUP>]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide

> <PUBCHEM_IUPAC_NAME>
N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(10S,23S)-10-ethyl-18-fluoranyl-19-methyl-10-oxidanyl-5,9-bis(oxidanylidene)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-oxidanyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-5,9-diketo-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxy-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-5,8-10H2,1-2H3,(H,28,32)/t17-,26-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PLXLYXLUCNZSAA-QLXKLKPCSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
493.16491366

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24FN3O6

> <PUBCHEM_MOLECULAR_WEIGHT>
493.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O

> <PUBCHEM_CACTVS_TPSA>
129

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
493.16491366

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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  10  6
11  13  8
11  14  8
13  17  8
14  18  8
14  21  8
18  27  8
20  24  8
21  28  8
22  24  8
22  25  8
25  26  8
27  31  8
28  31  8
23  3  5
8  20  8
8  26  8
9  17  8
9  21  8

$$$$
