Sacubitril
C24H29NO5
149709-62-6 Copyright (C) 2024 ACS
 30 31  0  0  1  0  0  0  0  0999 V2000
    7.7000    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    8.0020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3900    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    9.3358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   10.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    8.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700   10.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9400    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <cas.rn>
149709-62-6

> <cas.index.name>
[1,1′-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, α-ethyl ester, (αR,γS)-

> <molecular.formula>
C24H29NO5

> <molecular.weight>
411.49

> <boiling.point.predicted>
656.864±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.151±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.720±0.10    Most Acidic Temp: 25 °C

$$$$
