P-[[2-[[[(5S,8S,10aR)-8-[[[(1S)-4-Amino-1-[[(diphenylmethyl)amino]carbonyl]-4...
C59H62F2N9O12P
2429877-44-9 Copyright (C) 2024 ACS
 84 92  0  0  1  0  0  0  0  0999 V2000
    9.0392   15.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8682   16.4995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7586   13.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165   15.9854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2455   16.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1358   14.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5261   18.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937   16.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6842   13.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3551   19.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036   12.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5746   11.4426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9518   11.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0715   13.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7266   11.0587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4966    9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0366    9.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5791   12.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9127   13.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5791   10.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2464   12.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5801   13.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9139   12.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2476   13.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5812   12.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9149   11.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8748    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5412    1.3338    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   10.6449    0.7700    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    2.1038    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2075    0.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7712    2.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5669   11.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8941   15.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5142   18.5910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7602   15.1410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4910   16.0133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9820   16.0786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5592   13.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9284   17.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4678   17.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5088   15.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4966   12.3923    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4464   14.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0235   12.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2453   13.1289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7266    8.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3531    6.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1950    8.2302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2085    5.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8748    6.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2085    4.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5412    5.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8748    3.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5412    4.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6357   21.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4646   22.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0874   21.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454   23.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3680   23.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1970   24.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   18.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324   19.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6227   17.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2806   19.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710   16.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2487   10.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5824   11.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2487    9.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9161   10.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9026   13.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5824    8.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0606   11.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9161    9.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4341   13.2561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2042   14.5900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   30.4341   15.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7442   14.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2042   17.2573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.5142   15.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7442   17.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9512   17.2753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
 38  1  1  6  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 57  1  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 40  2  0  0  0  0
 15 16  1  0  0  0  0
 44 15  1  6  0  0  0
 16 17  2  0  0  0  0
 16 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
 26 69  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 55  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 34 75  2  0  0  0  0
 35 79  2  0  0  0  0
 36 83  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  1  0  0  0  0
 39 43  1  0  0  0  0
 39 84  1  1  0  0  0
 40 44  1  0  0  0  0
 41 42  1  0  0  0  0
 43 45  1  0  0  0  0
 44 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 47  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 50 52  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  2  0  0  0  0
 52 54  2  0  0  0  0
 53 55  1  0  0  0  0
 54 56  1  0  0  0  0
 55 56  2  0  0  0  0
 57 58  2  0  0  0  0
 57 59  1  0  0  0  0
 58 60  1  0  0  0  0
 59 61  2  0  0  0  0
 60 62  2  0  0  0  0
 61 62  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 64 66  1  0  0  0  0
 65 67  2  0  0  0  0
 66 68  2  0  0  0  0
 67 68  1  0  0  0  0
 69 70  2  0  0  0  0
 69 71  1  0  0  0  0
 70 72  1  0  0  0  0
 70 73  1  0  0  0  0
 71 74  2  0  0  0  0
 72 75  1  0  0  0  0
 72 76  2  0  0  0  0
 73 77  1  0  0  0  0
 74 76  1  0  0  0  0
 75 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 78 80  1  0  0  0  0
 79 81  1  0  0  0  0
 80 82  1  0  0  0  0
 81 83  1  0  0  0  0
 82 83  1  0  0  0  0
M  END
> <cas.rn>
2429877-44-9

> <cas.index.name>
Phosphonic acid, P-[[2-[[[(5S,8S,10aR)-8-[[[(1S)-4-amino-1-[[(diphenylmethyl)amino]carbonyl]-4-oxobutyl]amino]carbonyl]-3-[8-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]-1-oxo-7-octyn-1-yl]decahydro-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]amino]carbonyl]-1H-indol-5-yl]difluoromethyl]-

> <molecular.formula>
C59H62F2N9O12P

> <molecular.weight>
1158.15

> <density.predicted>
1.501±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
-0.546±0.42    Most Acidic Temp: 25 °C

$$$$
