Lisinopril
C21H31N3O5
76547-98-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  29 30 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 8.0023 0.0 0
M  V30 5 C 6.9302 5.3348 0.0 0
M  V30 6 C 5.3901 8.0023 0.0 0 CFG=2
M  V30 7 C 7.7002 4.0012 0.0 0
M  V30 8 C 4.6201 6.6685 0.0 0
M  V30 9 C 4.6201 9.3360 0.0 0
M  V30 10 C 6.9302 2.6673 0.0 0
M  V30 11 C 3.0801 6.6685 0.0 0
M  V30 12 O 3.0801 9.3360 0.0 0
M  V30 13 O 5.3901 10.6697 0.0 0
M  V30 14 C 7.7002 1.3337 0.0 0
M  V30 15 N 6.9302 0.0000 0.0 0
M  V30 16 C 12.5724 7.0187 0.0 0
M  V30 17 O 14.0787 7.3389 0.0 0
M  V30 18 O 12.0964 5.5541 0.0 0
M  V30 19 N 10.0102 8.0023 0.0 0
M  V30 20 C 11.5418 8.1633 0.0 0 CFG=2
M  V30 21 C 9.3839 9.4091 0.0 0
M  V30 22 C 11.8620 9.6696 0.0 0
M  V30 23 C 10.5283 10.4396 0.0 0
M  V30 24 C 2.3101 5.3348 0.0 0
M  V30 25 C 3.0801 4.0012 0.0 0
M  V30 26 C 0.7700 5.3348 0.0 0
M  V30 27 C 2.3101 2.6673 0.0 0
M  V30 28 C 0.0000 4.0012 0.0 0
M  V30 29 C 0.7700 2.6673 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 19
M  V30 4 1 2 4
M  V30 5 1 2 5 CFG=3
M  V30 6 1 4 6
M  V30 7 1 5 7
M  V30 8 1 6 8 CFG=1
M  V30 9 1 6 9
M  V30 10 1 7 10
M  V30 11 1 8 11
M  V30 12 1 9 12
M  V30 13 2 9 13
M  V30 14 1 10 14
M  V30 15 1 11 24
M  V30 16 1 14 15
M  V30 17 1 16 17
M  V30 18 2 16 18
M  V30 19 1 20 16 CFG=1
M  V30 20 1 19 20
M  V30 21 1 19 21
M  V30 22 1 20 22
M  V30 23 1 21 23
M  V30 24 1 22 23
M  V30 25 2 24 25
M  V30 26 1 24 26
M  V30 27 1 25 27
M  V30 28 2 26 28
M  V30 29 2 27 29
M  V30 30 1 28 29
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 2 6 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
76547-98-3

> <cas.index.name>
L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-

> <molecular.formula>
C21H31N3O5

> <molecular.weight>
405.49

> <melting.point.experimental>
162-165 °C

> <boiling.point.predicted>
666.4±55.0 °C    Press: 760 Torr

> <density.predicted>
1.251±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
2.18±0.10    Most Acidic Temp: 25 °C

$$$$
