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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1509-92-8, Ac-d-met-oh, 1109-92-8, N-acetylmethionine, d-, Acetyl-d-methionine, Chebi:85210

Molecular Formula

C₇H₁₃NO₃S

Molecular Weight

191.25 g/mol

InChI Key

XUYPXLNMDZIRQH-ZCFIWIBFSA-N

FDA UNII

14D624N0TA

N-acetyl-D-methionine is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

N-Acetyl-D-Methionine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-acetamido-4-methylsulfanylbutanoic acid

2.1.2 InChI

InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m1/s1

2.1.3 InChI Key

XUYPXLNMDZIRQH-ZCFIWIBFSA-N

2.1.4 Canonical SMILES

CC(=O)NC(CCSC)C(=O)O

2.1.5 Isomeric SMILES

CC(=O)N[C@H](CCSC)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

14D624N0TA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1509-92-8

2. Ac-d-met-oh

3. 1109-92-8

4. N-acetylmethionine, D-

5. Acetyl-d-methionine

6. Chebi:85210

7. (2r)-2-acetamido-4-methylsulfanylbutanoic Acid

8. 14d624n0ta

9. N-acetyl-d-met

10. D-methionine, N-acetyl-

11. Unii-14d624n0ta

12. Einecs 216-144-4

13. D-n-acetylmethionine

14. (r)-n-acetylmethionine

15. (2r)-n-acetylmethionine

16. Schembl109682

17. Chembl174319

18. N-acetyl-d-methionine, ~99%

19. N-acetylmethionine D-form

20. N-acetyl-d-methionine Crystalline

21. Dtxsid501030786

22. Zinc1529502

23. Mfcd00069962

24. Akos006346209

25. Akos015837756

26. Cs-w013213

27. Hy-w012497

28. N-acetylmethionine D-form [mi]

29. As-46829

30. (r)-2-acetamido-4-(methylthio)butanoic Acid

31. N-alpha-actetyl-d-methionine (ac-d-met-oh)

32. (2r)-2-acetamido-4-(methylthio)butanoic Acid

33. F10652

34. (2r)-2-acetamido-4-methylsulfanyl-butanoic Acid

35. (2r)-2-acetamido-4-(methylsulfanyl)butanoic Acid

36. 109a928

37. A809101

38. J-008768

39. Q27158403

2.4 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃NO₃S
Molecular Weight	191.25 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	191.06161445 g/mol
Monoisotopic Mass	191.06161445 g/mol
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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