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CAS 13734-34-4
PharmaCompass
CAS 13734-34-4
Also known as: Boc-phe-oh, 13734-34-4, Boc-l-phenylalanine, N-(tert-butoxycarbonyl)-l-phenylalanine, N-boc-l-phenylalanine, N-t-boc-l-phenylalanine
Molecular Formula
C14H19NO4
Molecular Weight
265.309  g/mol
InChI Key
ZYJPUMXJBDHSIF-NSHDSACASA-N

1 2D Structure

CAS 13734-34-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
2.1.2 InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
2.1.3 InChI Key
ZYJPUMXJBDHSIF-NSHDSACASA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Boc-phe-oh

2. 13734-34-4

3. Boc-l-phenylalanine

4. N-(tert-butoxycarbonyl)-l-phenylalanine

5. N-boc-l-phenylalanine

6. N-t-boc-l-phenylalanine

7. N-alpha-t-boc-l-phenylalanine

8. L-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-

9. N-t-butyloxycarbonyl-l-phenylalanine

10. (s)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanoic Acid

11. Boc-phe

12. Boc-l-phe-oh

13. Nsc 111172

14. N-tert-butyloxycarbonyl-l-phenylalanine

15. (tert-butoxycarbonyl)-l-phenylalanine

16. Zyjpumxjbdhsif-nshdsacasa-n

17. Mfcd00002663

18. (s)-2-(tert-butoxycarbonylamino)-3-phenylpropanoic Acid

19. (2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic Acid

20. Ak-46000

21. N-(tert-butyloxycarbonyl)-l-phenylalanine

22. N-t-butoxycarbonyl-l-phenylalanine

23. (2s)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic Acid

24. N-alpha-t-butyloxycarbonyl-l-phenylalanine

25. Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-

26. J-300207

27. L-phenylalanine, N-((1,1-dimethylethoxy)carbonyl)-

28. N-((1,1-dimethylethoxy)carbonyl)-n-l-phenylalanine

29. (2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoic Acid

30. N-[(1,1-dimethylethoxy)carbonyl]-l-phenylalanine

31. (s)-2-tert-butoxycarbonylamino-3-phenyl-propionic Acid

32. N-[(1,1-dimethylethoxy)carbonyl]-n-l-phenylalanine

33. Bocphe

34. (2s)-2-([(tert-butoxy)carbonyl]amino)-3-phenylpropanoic Acid

35. Boc-l-phenylalanin

36. Boc-pheoh

37. Einecs 237-305-5

38. N-boc-phenylalanine

39. Boc-l Phenylalanine

40. Phe-nhboc

41. Boc-l-phenyl-alanine

42. N-boc-l-phe

43. Ambotzbaa1127

44. Pubchem10967

45. Boc-(l)-phe-oh

46. N-boc-l-phenyl Alanine

47. Boc-l-phe

48. Ac1l2tyq

49. Ac1q5xnl

50. N-[-(1,1-dimethylethoxy)-carbonyl]-d-phenylamine

51. N-boc-(l)-phenylalanine

52. Nalpha -boc-phenylalanine

53. (s)-n-boc-phenylalanine

54. Boc-s-phenylalanine

55. Ac1q1ms5

56. T-butoxycarbonylphenylalanine

57. Schembl66220

58. Ksc491m9p

59. Boc-l-phenylalanine-oh

60. N-t-butoxycarbonylphenylalanine

61. Tert-butoxycarbonylphenylalanine

62. T-butyloxycarbonyl-phenylalanine

63. Jsp002258

64. T-butoxycarbonyl-l-phenylalanine

65. Alanine, N-carboxy-3-phenyl-, N-tert-butyl Ester, L-

66. Chembl1222330

67. N-boc-(s)-phenylalanine

68. N-t-butyloxycarbonylphenylalanine

69. Ctk3j1697

70. Bip0718

71. N-tert-butoxycarbonylphenylalanine

72. Molport-000-861-465

73. Zx-afc001118

74. N-t Butoxycarbonyl-l-phenylalanine

75. Tert-butoxycarbonyl-l-phenylalanine

76. Cs-d1210

77. Ks-000001qb

78. Ks-00000aa2

79. Zinc1703144

80. Tert-butyloxycarbonyl-l-phenylalanine

81. Tert.-butoxycarbonyi-l-phenylalanine

82. Anw-20267

83. N-(t-butoxycarbonyl)-l-phenylalanine

84. N-tert-butoxycarbonyl-l-phenylalanine

85. Tert.-butyoxycarbonyl-l-phenylalanine

86. N-(tert-butoxycarbonyl)-phenylalanine

87. Akos015922885

88. N-tert-butoxycarbonyl-l-phenyl-alanine

89. N-tert.-butoxycarbonyl-l-phenylalanine

90. Ab00254

91. Ac-6777

92. Acn-001333

93. An-9678

94. Boc-phe-oh, >=99.0% (t)

95. Mcule-5553035037

96. N-(t-butyloxycarbonyl)-l-phenylalanine

97. Rp29447

98. Rp29450

99. Rtr-004978

100. N-tertiarybutoxycarbonyl-l-phenylalanine

101. N(tert-butyloxycarbonyl)-l-phenylalanine

102. Ac-24133

103. Aj-30550

104. Am005268

105. As-12725

106. Bbv-32451610

107. Bc681784

108. Bp-21043

109. C203

110. Cc-25153

111. Kb-56158

112. Kb-63476

113. N-tert-butyloxycarbonyl-(l)-phenylalanine

114. Tl806170

115. (s)-n-tert.-butyloxycarbonyl-phenylalanine

116. Nalpha -t-butyloxycarbonyl-l-phenylalanine

117. Ab0005080

118. Ab1002325

119. Ax8008529

120. N-(1,1-dimethylethoxycarbonyl)phenylalanine

121. Ft-0636949

122. St24035842

123. N-[(1,1-dimethylethoxy)carbonyl]phenylalanine

124. A20324

125. K-4424

126. M03310

127. N-[(1,1dimethylethoxy)carbonyl]-l-phenylalanine

128. Phenylalanine,n-[(1,1-dimethylethoxy)carbonyl]-

129. C-16608

130. N-(tert-butoxycarbonyl)-(s)-phenylalanine

131. N-{[(1,1-dimethylethyl)oxy]carbonyl}phenylalanine

132. N-alpha-(t-butoxycarbonyl)-l-phenylalanine

133. (2s)-tert-butoxycarbonylamino-3-phenylpropanoic Acid

134. N-[(1,1-dimethylethoxy) Carbonyl]-l-phenylalanine

135. (s)-2-tert-butoxycarbonylamino-3-phenylpropionic Acid

136. N-[[(1,1-dimethylethyl)oxy]carbonyl]-l-phenylalanine

137. 2(s)-(tert-butoxycarbonylamino)-3-phenylpropionic Acid

138. Z1245635758

139. Alanine, N-carboxy-3-phenyl-, N-tert-butyl Ester, L- (8ci)

140. N-(tert-butoxycarbonyl)-l-phenylalanine; Boc-l-phenylalanine

141. (2s)-2-((tert-butoxycarbonyl)amino)-3-phenylpropionic Acid

142. (2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic Acid

143. 92761-90-5

2.3 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 265.309 g/mol
Molecular Formula C14H19NO4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass265.131 g/mol
Monoisotopic Mass265.131 g/mol
Topological Polar Surface Area75.6 A^2
Heavy Atom Count19
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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