59875052
  -OEChem-04232410122D

 77 78  0     1  0  0  0  0  0999 V2000
    9.4651    6.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -6.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4651    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4651   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7751    7.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2891   -7.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 16  2  0  0  0  0
  1 42  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 17  2  0  0  0  0
  2 45  1  0  0  0  0
  3 42  1  0  0  0  0
  4 42  1  0  0  0  0
  5 45  1  0  0  0  0
  6 45  1  0  0  0  0
  7 25  2  0  0  0  0
  8 28  2  0  0  0  0
  9 35  2  0  0  0  0
 10 46  1  0  0  0  0
 10 73  1  0  0  0  0
 11 74  1  0  0  0  0
 12 75  1  0  0  0  0
 13 46  2  0  0  0  0
 14 76  1  0  0  0  0
 15 77  1  0  0  0  0
 18 21  1  0  0  0  0
 18 28  1  0  0  0  0
 18 52  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 57  1  0  0  0  0
 20 35  1  0  0  0  0
 20 71  1  0  0  0  0
 20 72  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 47  1  0  0  0  0
 22 27  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 31  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  1  0  0  0  0
 24 35  1  0  0  0  0
 24 51  1  0  0  0  0
 26 30  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 33  2  0  0  0  0
 27 34  1  0  0  0  0
 29 32  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 39  2  0  0  0  0
 30 40  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 46  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 37  1  0  0  0  0
 33 63  1  0  0  0  0
 34 38  2  0  0  0  0
 34 64  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 36 42  1  0  0  0  0
 37 65  1  0  0  0  0
 38 66  1  0  0  0  0
 39 43  1  0  0  0  0
 39 67  1  0  0  0  0
 40 44  2  0  0  0  0
 40 68  1  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
 41 45  1  0  0  0  0
 43 69  1  0  0  0  0
 44 70  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59875052

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1200

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
15

> <PUBCHEM_CACTVS_HBOND_DONOR>
8

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7PcMAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwgQCCAADSjBmBQyCILAAhCIQiHSGIACAAAgAAAIiIGIAIgIYDKAkTGUYAAklgCIiAeYn8KOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[[2-[[2-amino-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-4-methyl-5-oxo-pentanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
5-[[1-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-methyl-5-oxopentanoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[[1-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-methyl-5-oxopentanoic acid

> <PUBCHEM_IUPAC_NAME>
5-[[1-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-methyl-5-oxopentanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[[1-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-5-oxidanylidene-pentanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[[2-[[2-amino-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-5-keto-4-methyl-valeric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H31F4N3O11P2/c1-14(2-11-21(34)35)23(37)33-20(13-16-5-9-18(10-6-16)26(29,30)46(42,43)44)24(38)32-19(22(31)36)12-15-3-7-17(8-4-15)25(27,28)45(39,40)41/h3-10,14,19-20H,2,11-13H2,1H3,(H2,31,36)(H,32,38)(H,33,37)(H,34,35)(H2,39,40,41)(H2,42,43,44)

> <PUBCHEM_IUPAC_INCHIKEY>
XYROALMFRCBVKR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.8

> <PUBCHEM_EXACT_MASS>
699.13699546

> <PUBCHEM_MOLECULAR_FORMULA>
C26H31F4N3O11P2

> <PUBCHEM_MOLECULAR_WEIGHT>
699.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
254

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
699.13699546

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
46

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
21  22  3
23  31  3
24  26  3
27  33  8
27  34  8
30  39  8
30  40  8
33  37  8
34  38  8
36  37  8
36  38  8
39  43  8
40  44  8
41  43  8
41  44  8

$$$$