59875060
  -OEChem-05082423482D

 80 82  0     1  0  0  0  0  0999 V2000
    8.9282    6.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2382    7.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7522   -7.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 14  2  0  0  0  0
  1 40  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  2  0  0  0  0
  2 43  1  0  0  0  0
  3 40  1  0  0  0  0
  4 40  1  0  0  0  0
  5 43  1  0  0  0  0
  6 43  1  0  0  0  0
  7 23  2  0  0  0  0
  8 28  2  0  0  0  0
  9 32  2  0  0  0  0
 10 77  1  0  0  0  0
 11 78  1  0  0  0  0
 12 79  1  0  0  0  0
 13 80  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 16 55  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 56  1  0  0  0  0
 18 26  1  0  0  0  0
 18 68  1  0  0  0  0
 18 69  1  0  0  0  0
 19 32  1  0  0  0  0
 19 70  1  0  0  0  0
 19 71  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 49  1  0  0  0  0
 21 25  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 24  1  0  0  0  0
 22 32  1  0  0  0  0
 22 52  1  0  0  0  0
 24 27  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 30  2  0  0  0  0
 25 31  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 57  1  0  0  0  0
 27 34  2  0  0  0  0
 27 35  1  0  0  0  0
 29 39  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 36  1  0  0  0  0
 30 60  1  0  0  0  0
 31 37  2  0  0  0  0
 31 61  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
 33 40  1  0  0  0  0
 34 41  1  0  0  0  0
 34 62  1  0  0  0  0
 35 42  2  0  0  0  0
 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
 38 41  2  0  0  0  0
 38 42  1  0  0  0  0
 38 43  1  0  0  0  0
 39 44  2  0  0  0  0
 39 45  1  0  0  0  0
 41 66  1  0  0  0  0
 42 67  1  0  0  0  0
 44 46  1  0  0  0  0
 44 72  1  0  0  0  0
 45 47  2  0  0  0  0
 45 73  1  0  0  0  0
 46 48  2  0  0  0  0
 46 74  1  0  0  0  0
 47 48  1  0  0  0  0
 47 75  1  0  0  0  0
 48 76  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59875060

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1220

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
14

> <PUBCHEM_CACTVS_HBOND_DONOR>
8

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7vcMAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwgQCCAADCjBmBQwAILAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[[4-[3-amino-2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[[4-[3-amino-2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
[[4-[3-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid

> <PUBCHEM_IUPAC_NAME>
[[4-[3-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[[4-[3-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]propanoyl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[[4-[3-[[2-amino-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-3-keto-2-(phenylalanylamino)propyl]phenyl]-difluoro-methyl]phosphonic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H32F4N4O9P2/c30-28(31,47(41,42)43)20-10-6-18(7-11-20)15-23(25(35)38)36-27(40)24(37-26(39)22(34)14-17-4-2-1-3-5-17)16-19-8-12-21(13-9-19)29(32,33)48(44,45)46/h1-13,22-24H,14-16,34H2,(H2,35,38)(H,36,40)(H,37,39)(H2,41,42,43)(H2,44,45,46)

> <PUBCHEM_IUPAC_INCHIKEY>
NIRUIIJSTTYPNZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-3.2

> <PUBCHEM_EXACT_MASS>
718.15806525

> <PUBCHEM_MOLECULAR_FORMULA>
C29H32F4N4O9P2

> <PUBCHEM_MOLECULAR_WEIGHT>
718.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)NC(CC3=CC=C(C=C3)C(F)(F)P(=O)(O)O)C(=O)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)NC(CC3=CC=C(C=C3)C(F)(F)P(=O)(O)O)C(=O)N)N

> <PUBCHEM_CACTVS_TPSA>
242

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
718.15806525

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
48

> <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>
26  18  3
20  21  3
22  24  3
25  30  8
25  31  8
27  34  8
27  35  8
30  36  8
31  37  8
33  36  8
33  37  8
34  41  8
35  42  8
38  41  8
38  42  8
39  44  8
39  45  8
44  46  8
45  47  8
46  48  8
47  48  8

$$$$