CAS 13734-34-4

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Also known as: 13734-34-4, Boc-phe-oh, Boc-l-phenylalanine, Boc-phenylalanine, N-boc-l-phenylalanine, N-t-boc-l-phenylalanine

Molecular Formula

C₁₄H₁₉NO₄

Molecular Weight

265.30 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. 13734-34-4

2. Boc-phe-oh

3. Boc-l-phenylalanine

4. Boc-phenylalanine

5. N-boc-l-phenylalanine

6. N-t-boc-l-phenylalanine

7. N-t-butyloxycarbonyl-l-phenylalanine

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

9. N-tert-butyloxycarbonyl-l-phenylalanine

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

11. Mfcd00002663

12. Nsc 111172

13. T-butoxycarbonyl-l-phenylalanine

14. (tert-butoxycarbonyl)-l-phenylalanine

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

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

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

18. (2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoic Acid

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

20. (2s)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic Acid

21. N-(tert-butoxycarbonyl)phenylalanine

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

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

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

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

26. Bocphe

27. N-tert-butoxycarbonyl-l-phenylalanine

28. Boc-l-phenylalanin

29. Boc-pheoh

30. Einecs 237-305-5

31. N-boc-phenylalanine

32. Boc-l Phenylalanine

33. Phe-nhboc

34. Boc-l-phenyl-alanine

35. N-boc-l-phe

36. Boc-phe

37. Boc-(l)-phe-oh

38. N-boc-l-phenyl Alanine

39. Boc-l-phe-oh

40. N-boc-(l)-phenylalanine

41. Nalpha -boc-phenylalanine

42. (s)-n-boc-phenylalanine

43. (2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic Acid

44. T-butoxycarbonylphenylalanine

45. Schembl66220

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

47. N-t-butoxycarbonylphenylalanine

48. Tert-butoxycarbonylphenylalanine

49. T-butyloxycarbonyl-phenylalanine

50. Chembl1222330

51. N-t-butyloxycarbonylphenylalanine

52. Dtxsid90884634

53. N-tert-butoxycarbonylphenylalanine

54. (2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic Acid

55. N-t Butoxycarbonyl-l-phenylalanine

56. Tert-butoxycarbonyl-l-phenylalanine

57. Cs-d1210

58. Zinc1703144

59. Tert-butyloxycarbonyl-l-phenylalanine

60. Tert.-butoxycarbonyi-l-phenylalanine

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

62. Tert.-butyoxycarbonyl-l-phenylalanine

63. N-(tert-butoxycarbonyl)-phenylalanine

64. Akos015922885

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

66. N-tert.-butoxycarbonyl-l-phenylalanine

67. Ac-6777

68. Boc-phe-oh, >=99.0% (t)

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

70. N-tertiarybutoxycarbonyl-l-phenylalanine

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

72. Ac-24133

73. As-12725

74. Bp-21043

75. N-t-butoxycarbonyl-l-phenylalanine

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

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

78. Nalpha -t-butyloxycarbonyl-l-phenylalanine

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

80. 2-boc-amino-3-phenyl-propionic Acid

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

82. A20324

83. M03310

84. P19756

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

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

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

88. (2s)-tert-butoxycarbonylamino-3-phenylpropanoic Acid

89. J-300207

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

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

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

93. 2(s)-(tert-butoxycarbonylamino)-3-phenylpropionic Acid

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

95. Z1245635758

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

2.3 Create Date

2005-07-11

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉NO₄
Molecular Weight	265.30 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	265.13140809 g/mol
Monoisotopic Mass	265.13140809 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	316
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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