N-(1-Naphthalenylcarbonyl)-4-nitro-L-phenylalanine methyl ester
C21H18N2O5
247580-43-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  28 30 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.3348 6.1601 0.0 0
M  V30 2 N 6.6684 6.9301 0.0 0
M  V30 3 O 5.3348 4.6201 0.0 0
M  V30 4 C 8.0021 6.1601 0.0 0 CFG=2
M  V30 5 C 8.0021 4.6201 0.0 0
M  V30 6 C 9.3357 6.9301 0.0 0
M  V30 7 O 9.3357 8.4701 0.0 0
M  V30 8 O 10.6695 6.1601 0.0 0
M  V30 9 C 10.6695 9.2401 0.0 0
M  V30 10 N 13.3369 1.5400 0.0 0 VAL=5
M  V30 11 O 13.3369 0.0000 0.0 0
M  V30 12 O 14.6705 2.3100 0.0 0
M  V30 13 C 2.6673 6.1601 0.0 0
M  V30 14 C 4.0010 6.9301 0.0 0
M  V30 15 C 1.3337 6.9301 0.0 0
M  V30 16 C 2.6673 4.6201 0.0 0
M  V30 17 C 4.0010 8.4701 0.0 0
M  V30 18 C 1.3337 8.4701 0.0 0
M  V30 19 C 0.0000 6.1601 0.0 0
M  V30 20 C 1.3337 3.8500 0.0 0
M  V30 21 C 2.6673 9.2401 0.0 0
M  V30 22 C 0.0000 4.6201 0.0 0
M  V30 23 C 9.3357 3.8500 0.0 0
M  V30 24 C 9.3357 2.3100 0.0 0
M  V30 25 C 10.6695 4.6201 0.0 0
M  V30 26 C 10.6695 1.5400 0.0 0
M  V30 27 C 12.0032 3.8500 0.0 0
M  V30 28 C 12.0032 2.3100 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 14
M  V30 4 1 2 4
M  V30 5 1 4 5 CFG=3
M  V30 6 1 4 6
M  V30 7 1 5 23
M  V30 8 1 6 7
M  V30 9 2 6 8
M  V30 10 1 7 9
M  V30 11 2 10 11
M  V30 12 2 10 12
M  V30 13 1 10 28
M  V30 14 1 13 14
M  V30 15 2 13 15
M  V30 16 1 13 16
M  V30 17 2 14 17
M  V30 18 1 15 18
M  V30 19 1 15 19
M  V30 20 2 16 20
M  V30 21 1 17 21
M  V30 22 2 18 21
M  V30 23 2 19 22
M  V30 24 1 20 22
M  V30 25 2 23 24
M  V30 26 1 23 25
M  V30 27 1 24 26
M  V30 28 2 25 27
M  V30 29 2 26 28
M  V30 30 1 27 28
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
247580-43-4

> <cas.index.name>
L-Phenylalanine, N-(1-naphthalenylcarbonyl)-4-nitro-, methyl ester

> <molecular.formula>
C21H18N2O5

> <molecular.weight>
378.38

> <boiling.point.predicted>
642.9±50.0 °C    Press: 760 Torr

> <density.predicted>
1.305±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.51±0.46    Most Acidic Temp: 25 °C

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