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Chemistry

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Also known as: 87-32-1, Ac-dl-trp-oh, N-acetyltryptophan, Dl-acetyltryptophan, Acetyltryptophan, 2-acetamido-3-(1h-indol-3-yl)propanoic acid

Molecular Formula

C₁₃H₁₄N₂O₃

Molecular Weight

246.26 g/mol

InChI Key

DZTHIGRZJZPRDV-UHFFFAOYSA-N

FDA UNII

4460NBV53F

N-acetyltryptophan is a natural product found in Aspergillus nidulans, Penicillium commune, and Arabidopsis thaliana with data available.

1 2D Structure

Ac-DL-Trp-OH

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-acetamido-3-(1H-indol-3-yl)propanoic acid

2.1.2 InChI

InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)

2.1.3 InChI Key

DZTHIGRZJZPRDV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

4460NBV53F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Acetyltryptophan

2. N-acetyl-d-tryptophan

3. N-acetyltryptophan

4. N-acetyltryptophanate Sodium

2.3.2 Depositor-Supplied Synonyms

1. 87-32-1

2. Ac-dl-trp-oh

3. N-acetyltryptophan

4. Dl-acetyltryptophan

5. Acetyltryptophan

6. 2-acetamido-3-(1h-indol-3-yl)propanoic Acid

7. Tryptophan, N-acetyl-

8. Dl-n-acetyltryptophan

9. N-acetyl-dl-tryptophane

10. Dl-tryptophan, N-acetyl-

11. Nsc49124

12. Mfcd00005644

13. Nsc 49124

14. Tryptophan, N-acetyl-, Dl-

15. Chebi:70976

16. 4460nbv53f

17. N-acetyl-trp-oh

18. Nsc-49124

19. N-acetyl Tryptophan

20. N-acetyltryptophan #

21. N-acetyl-dl-tryptophen

22. Nalpha-acetyl-dl-tryptophan

23. N-alpha-acetyl-dl-tryptophan

24. Unii-4460nbv53f

25. Mfcd00065976

26. Nsc-90726

27. N-acetyltryptophane

28. Einecs 201-739-3

29. Acetyl-dl-tryptophan

30. N-a-acetyltryptophan

31. N-acetyl Dl-tryptophan

32. N-acetyl-d,l-tryptophan

33. D,l-alpha-acetylamino-3-indolepropionic Acid

34. Cambridge Id 5117020

35. N-

36. A-acetyl-dl-tryptophan

37. Nciopen2_005595

38. Oprea1_817403

39. Schembl57140

40. Acetyltryptophan, Dl-

41. Cbdive_014228

42. 2-(acetylamino)-3-(1h-indol-3-yl)propanoic Acid

43. Mls000686793

44. Chembl1905494

45. Acon1_001308

46. Bdbm91686

47. Dzthigrzjzprdv-uhfffaoysa-

48. Acetyltryptophan [who-dd]

49. Dtxsid40861672

50. Hms2271l03

51. Hms3372o11

52. Acetyltryptophan, Dl- [ii]

53. Act05774

54. Nsc90726

55. Bbl000688

56. Ccg-41706

57. Stk367673

58. Akos000120599

59. Akos016040255

60. Am82276

61. Cs-w012698

62. Hy-w011982

63. N-acetyltryptophan [ep Monograph]

64. Ac-19242

65. Ac-27041

66. Nci60_004180

67. Smr000339886

68. Sy036184

69. Sy036799

70. Vs-00668

71. Db-041633

72. Db-045994

73. Db-056991

74. A0120

75. Dl-.alpha.-acetamidoindole-3-propionic Acid

76. Ft-0629814

77. Ft-0633493

78. Ft-0634178

79. Dl-.alpha.-acetylamino-3-indolepropionic Acid

80. 2-acetamido-3-(1h-indol-3-yl)-propionic Acid

81. A-1810

82. A13889

83. D,l-.alpha.-acetylamino-3-indolepropionic Acid

84. 2-acetylamino-3-(1h-indol-3-yl)propionic Acid

85. Ab00637124-07

86. 005a644

87. A804795

88. Sr-01000597217

89. J-300264

90. Sr-01000597217-1

91. Sr-01000597217-2

92. Brd-a18626878-001-01-6

93. Q27139225

94. Z85881713

95. 3ad26bd1-c587-4301-9682-da13678ce54f

96. Ncgc00180645-03!2-acetamido-3-(1h-indol-3-yl)propanoic Acid

97. N-acetyl-dl-tryptophan, Pharmagrade, Manufactured Under Appropriate Gmp Controls For Pharma Or Biopharmaceutical Production.

98. N-acetyl-dl-tryptophan, Pharmagrade, Manufactured Under Appropriate Gmp Controls For Pharma Or Biopharmaceutical Production., Ep

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄N₂O₃
Molecular Weight	246.26 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	246.10044231 g/mol
Monoisotopic Mass	246.10044231 g/mol
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	332
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1