N-[(11Z)-1-Oxo-11-octadecen-1-yl]-L-phenylalanine
C27H43NO3
2227449-70-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  31 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.5400 4.0010 0.0 0
M  V30 2 C 2.3101 5.3348 0.0 0 CFG=1
M  V30 3 N 3.8501 5.3348 0.0 0
M  V30 4 C 1.5400 6.6685 0.0 0
M  V30 5 C 4.6201 6.6685 0.0 0
M  V30 6 O 2.3101 8.0022 0.0 0
M  V30 7 O 0.0000 6.6685 0.0 0
M  V30 8 C 6.1601 6.6685 0.0 0
M  V30 9 O 3.8501 8.0022 0.0 0
M  V30 10 C 6.9302 8.0022 0.0 0
M  V30 11 C 8.4702 8.0022 0.0 0
M  V30 12 C 9.2402 9.3360 0.0 0
M  V30 13 C 10.7802 9.3360 0.0 0
M  V30 14 C 11.5503 10.6697 0.0 0
M  V30 15 C 13.0903 10.6697 0.0 0
M  V30 16 C 13.8603 12.0033 0.0 0
M  V30 17 C 15.4003 12.0033 0.0 0
M  V30 18 C 16.1704 13.3370 0.0 0
M  V30 19 C 17.7104 13.3370 0.0 0
M  V30 20 C 18.4804 12.0033 0.0 0
M  V30 21 C 20.0204 12.0033 0.0 0
M  V30 22 C 20.7905 10.6697 0.0 0
M  V30 23 C 22.3305 10.6697 0.0 0
M  V30 24 C 23.1005 9.3360 0.0 0
M  V30 25 C 24.6405 9.3360 0.0 0
M  V30 26 C 2.3101 2.6673 0.0 0
M  V30 27 C 1.5400 1.3337 0.0 0
M  V30 28 C 3.8501 2.6673 0.0 0
M  V30 29 C 2.3101 0.0000 0.0 0
M  V30 30 C 4.6201 1.3337 0.0 0
M  V30 31 C 3.8501 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1 CFG=1
M  V30 2 1 1 26
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 3 5
M  V30 6 1 4 6
M  V30 7 2 4 7
M  V30 8 1 5 8
M  V30 9 2 5 9
M  V30 10 1 8 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 1 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 20 1 19 20
M  V30 21 1 20 21
M  V30 22 1 21 22
M  V30 23 1 22 23
M  V30 24 1 23 24
M  V30 25 1 24 25
M  V30 26 2 26 27
M  V30 27 1 26 28
M  V30 28 1 27 29
M  V30 29 2 28 30
M  V30 30 2 29 31
M  V30 31 1 30 31
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2227449-70-7

> <cas.index.name>
L-Phenylalanine, N-[(11Z)-1-oxo-11-octadecen-1-yl]-

> <molecular.formula>
C27H43NO3

> <molecular.weight>
429.64

> <boiling.point.predicted>
600.8±48.0 °C    Press: 760 Torr

> <density.predicted>
0.998±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.63±0.10    Most Acidic Temp: 25 °C

$$$$
