FLAG peptide
C41H60N10O20
98849-88-8 Copyright (C) 2025 ACS
 71 71  0  0  1  0  0  0  0  0999 V2000
    4.0011    6.9300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6673    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    9.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6673    3.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3336    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    6.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3358   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    9.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694   13.8600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0041    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6705    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3378    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0041    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6714    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3378    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3378   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052    6.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3378   11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6714    9.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3389    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6725    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3389    9.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3389    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0061    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.3389    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6725    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3399    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0061    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3399    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3399   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    4.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3399   11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    9.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0072    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3408    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0072    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3399    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6746    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0083    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3419    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   13.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2 66  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  1  0  0  0
  9 13  1  0  0  0  0
  9 14  1  1  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  6  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  1  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
 38 41  1  0  0  0  0
 38 42  1  6  0  0  0
 41 43  1  0  0  0  0
 41 44  2  0  0  0  0
 42 45  1  0  0  0  0
 43 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45 48  2  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  1  0  0  0
 49 51  1  0  0  0  0
 49 52  2  0  0  0  0
 50 53  1  0  0  0  0
 51 54  1  0  0  0  0
 53 55  1  0  0  0  0
 53 56  2  0  0  0  0
 54 57  1  1  0  0  0
 54 58  1  0  0  0  0
 57 59  1  0  0  0  0
 58 60  1  0  0  0  0
 58 61  2  0  0  0  0
 59 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 65 71  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
 67 69  1  0  0  0  0
 68 70  2  0  0  0  0
 69 71  2  0  0  0  0
 70 71  1  0  0  0  0
M  END
> <cas.rn>
98849-88-8

> <cas.index.name>
L-Lysine, L-α-aspartyl-L-tyrosyl-L-lysyl-L-α-aspartyl-L-α-aspartyl-L-α-aspartyl-L-α-aspartyl-

> <molecular.formula>
C41H60N10O20

> <molecular.weight>
1012.97

> <boiling.point.predicted>
1588.348±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.471±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.128±0.10    Most Acidic Temp: 25 °C

$$$$
