GW 1929
C30H29N3O4
196808-24-9 Copyright (C) 2025 ACS
 37 40  0  0  1  0  0  0  0  0999 V2000
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9400    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2500    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7900    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5600    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5600    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1000    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8700    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  4  3  1  1  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <cas.rn>
196808-24-9

> <cas.index.name>
L-Tyrosine, N-(2-benzoylphenyl)-O-[2-(methyl-2-pyridinylamino)ethyl]-

> <molecular.formula>
C30H29N3O4

> <molecular.weight>
495.57

> <boiling.point.predicted>
749.184±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.265±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.906±0.10    Most Acidic Temp: 25 °C

$$$$
