I01-2713 H-D-Phe(4-NO2)-OH (CAS# 56613-61-7)

General Information
Catalog No.:	I01-2713
Synonym:	(2S)-2-Amino-3-(4-nitrophenyl)propanoic acid hydrate
Cas#:	56613-61-7
MDL# :	MFCD00066016
Molecular Formula:	C9H10N2O4.H2O
Mole Weight:	228.07

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O=C(O)[C@@H](N)CC1=CC=C([N+]([O-])=O)C=C1.[H]O[H]
  CDK  02091210422D

18 17  0  0  0  0            999 V2000
   -0.7145   -0.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538    1.0450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682    1.4575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3827    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827   -1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827   -2.2550    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6682   -2.6675    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0972   -2.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682    2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538    2.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827    2.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  CHG  2  13   1  14  -1
M  END

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I01-2713 H-D-Phe(4-NO2)-OH (CAS# 56613-61-7)

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