Enalapril
C20H28N2O5
75847-73-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 28 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 9.2402 6.6685 0.0 0
M  V30 2 C 7.7002 6.6685 0.0 0 CFG=2
M  V30 3 O 10.0102 5.3348 0.0 0
M  V30 4 N 6.9302 5.3348 0.0 0
M  V30 5 C 6.9302 8.0023 0.0 0
M  V30 6 C 5.3901 5.3348 0.0 0 CFG=2
M  V30 7 C 4.6201 6.6685 0.0 0
M  V30 8 C 4.6201 4.0012 0.0 0
M  V30 9 C 3.0801 6.6685 0.0 0
M  V30 10 O 5.3901 2.6673 0.0 0
M  V30 11 O 3.0801 4.0012 0.0 0
M  V30 12 C 4.6201 1.3337 0.0 0
M  V30 13 C 5.3901 0.0000 0.0 0
M  V30 14 C 12.5724 7.0187 0.0 0
M  V30 15 O 14.0787 7.3389 0.0 0
M  V30 16 O 12.0964 5.5541 0.0 0
M  V30 17 N 10.0102 8.0023 0.0 0
M  V30 18 C 11.5418 8.1633 0.0 0 CFG=2
M  V30 19 C 9.3839 9.4091 0.0 0
M  V30 20 C 11.8620 9.6696 0.0 0
M  V30 21 C 10.5283 10.4396 0.0 0
M  V30 22 C 2.3101 8.0023 0.0 0
M  V30 23 C 3.0801 9.3360 0.0 0
M  V30 24 C 0.7700 8.0022 0.0 0
M  V30 25 C 2.3101 10.6697 0.0 0
M  V30 26 C 0.0000 9.3360 0.0 0
M  V30 27 C 0.7700 10.6697 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 17
M  V30 4 1 2 4
M  V30 5 1 2 5 CFG=1
M  V30 6 1 4 6
M  V30 7 1 6 7 CFG=3
M  V30 8 1 6 8
M  V30 9 1 7 9
M  V30 10 1 8 10
M  V30 11 2 8 11
M  V30 12 1 9 22
M  V30 13 1 10 12
M  V30 14 1 12 13
M  V30 15 1 14 15
M  V30 16 2 14 16
M  V30 17 1 18 14 CFG=1
M  V30 18 1 17 18
M  V30 19 1 17 19
M  V30 20 1 18 20
M  V30 21 1 19 21
M  V30 22 1 20 21
M  V30 23 2 22 23
M  V30 24 1 22 24
M  V30 25 1 23 25
M  V30 26 2 24 26
M  V30 27 2 25 27
M  V30 28 1 26 27
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 2 6 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
75847-73-3

> <cas.index.name>
L-Proline, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-

> <molecular.formula>
C20H28N2O5

> <molecular.weight>
376.45

> <melting.point.experimental>
142-143 °C

> <boiling.point.predicted>
582.4±50.0 °C    Press: 760 Torr

> <density.predicted>
1.204±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.15±0.20    Most Acidic Temp: 25 °C

$$$$
