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    Chemistry

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    Also known as: 1218-34-4, Ac-trp-oh, Acetyl-l-tryptophan, L-tryptophan, n-acetyl-, Acetyltryptophan, N-acetyltryptophan
    Molecular Formula
    C13H14N2O3
    Molecular Weight
    246.26  g/mol
    InChI Key
    DZTHIGRZJZPRDV-LBPRGKRZSA-N
    FDA UNII
    U9264T8OAE
    N-Acetyl-L-Tryptophan
    N-acetyltryptophan is a natural product found in Kali collina, Kali collinum, and Salsola collina with data available.
    1 2D Structure

    N-Acetyl-L-Tryptophan

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-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)/t12-/m0/s1
    2.1.3 InChI Key
    DZTHIGRZJZPRDV-LBPRGKRZSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
    2.1.5 Isomeric SMILES
    CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    U9264T8OAE
    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. 1218-34-4

    2. Ac-trp-oh

    3. Acetyl-l-tryptophan

    4. L-tryptophan, N-acetyl-

    5. Acetyltryptophan

    6. N-acetyltryptophan

    7. Acetyl-l-trp

    8. (s)-n-acetyltryptophan

    9. Ac-try

    10. (2s)-2-acetamido-3-(1h-indol-3-yl)propanoic Acid

    11. L-acetyltryptophan

    12. Tryptophan, N-acetyl-, L-

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

    14. Nsc 90726

    15. Tryptophan Related Compound B

    16. Chembl54170

    17. U9264t8oae

    18. Chebi:74640

    19. N-acetyl-l-tryptophanate

    20. N-acetyl Tryptophan

    21. N-acetyl-trp-oh

    22. Mfcd00065976

    23. Acetyl Tryptophan

    24. Acetyltryptophanate

    25. Acetyltryptophan, L-

    26. Unii-u9264t8oae

    27. Nsc-90726

    28. Ac-trp

    29. Tryptophan, Acetyl

    30. N-acetyl-tryptophan

    31. Einecs 214-935-9

    32. Spectrum_000959

    33. 2-acetylamino-3-(1h-indol-3-yl)-propionic Acid

    34. Spectrum2_001348

    35. Spectrum3_001396

    36. Spectrum4_000551

    37. Spectrum5_001350

    38. Nalpha-acetyl-l-tryptophan

    39. N-

    40. A-acetyl-l-tryptophan

    41. Schembl57141

    42. Bspbio_003012

    43. Kbiogr_001241

    44. Kbioss_001439

    45. Divk1c_000385

    46. Spectrum1500702

    47. Spbio_001535

    48. Hms501d07

    49. Kbio1_000385

    50. Kbio2_001439

    51. Kbio2_004007

    52. Kbio2_006575

    53. Kbio3_002232

    54. Zinc80812

    55. Dtxsid10883669

    56. Ninds_000385

    57. Hms1921e12

    58. Act07149

    59. Bdbm50043821

    60. Ccg-39286

    61. Fd3078

    62. Akos010397427

    63. Akos015837748

    64. Am82275

    65. Cs-w012694

    66. Hy-w011978

    67. Idi1_000385

    68. Ncgc00094838-01

    69. Ncgc00094838-02

    70. Ncgc00094838-03

    71. As-57887

    72. A0121

    73. A-1820

    74. Tryptophan Related Compound B [usp-rs]

    75. 218a344

    76. J-300263

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

    78. Q27144794

    79. 38435fc5-4d99-4e9c-a55b-099ba6c5197c

    80. N-acetyltryptophan, European Pharmacopoeia (ep) Reference Standard

    81. N-acetyl-l-tryptophan, Pharmaceutical Secondary Standard; Certified Reference Material

    82. Tryptophan Related Compound B, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 246.26 g/mol
    Molecular Formula C13H14N2O3
    XLogP31.1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass246.10044231 g/mol
    Monoisotopic Mass246.10044231 g/mol
    Topological Polar Surface Area82.2 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity332
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Protease Inhibitors

    Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES). (See all compounds classified as Protease Inhibitors.)

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