CAS 15985-39-4

Chemistry

Chemistry

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Also known as: 15985-39-4, (2s)-2-amino-4-(s-methylsulfonimidoyl)butanoic acid, L-methionine-s,r-sulfoximine, L-methionine [r,s]-sulfoximine, Butanoic acid, 2-amino-4-(s-methylsulfonimidoyl)-, (2s)-, L-s-(3-amino-3-carboxypropyl)-s-methylsulfoximine

Molecular Formula

C₅H₁₂N₂O₃S

Molecular Weight

180.23 g/mol

InChI Key

SXTAYKAGBXMACB-DPVSGNNYSA-N

FDA UNII

DE3D2PZ3TT

1 2D Structure

CAS 15985-39-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid

2.1.2 InChI

InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1

2.1.3 InChI Key

SXTAYKAGBXMACB-DPVSGNNYSA-N

2.1.4 Canonical SMILES

CS(=N)(=O)CCC(C(=O)O)N

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

DE3D2PZ3TT

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 15985-39-4

2. (2s)-2-amino-4-(s-methylsulfonimidoyl)butanoic Acid

3. L-methionine-s,r-sulfoximine

4. L-methionine [r,s]-sulfoximine

5. Butanoic Acid, 2-amino-4-(s-methylsulfonimidoyl)-, (2s)-

6. L-s-(3-amino-3-carboxypropyl)-s-methylsulfoximine

7. L-methionine-(s,r)-sulfoximine

8. De3d2pz3tt

9. Methionine Sulfoximine (l)

10. M9p6yz6jx9

11. Methionine Sulfoximine, (s)-

12. Chebi:28490

13. (2s)-2-amino-4-(s-methylsufonimidoyl)butanoic Acid

14. L-methionine-dl-sulfoximine

15. 2s-amino-4-(s-methylsulfonimidoyl)-butanoic Acid

16. L-methionine [s]-sulfoximine

17. 21752-32-9

18. (2s)-2-amino-4-((s(s))-s-methylsulfonimidoyl)butanoic Acid

19. Butanoic Acid, 2-amino-4-((s(s))-s-methylsulfonimidoyl)-, (2s)-

20. (2s)-2-amino-4-(methylsulfonimidoyl)butanoic Acid

21. 7x87yr5kvs

22. Methionine Sulfoximine, (r)-

23. Unii-m9p6yz6jx9

24. (2s)-2-amino-4-[imino(methyl)oxo-

25. E?-sulfanyl]butanoic Acid

26. Prestwick_805

27. L-methionine-sulfoximine

28. Prestwick0_000523

29. Prestwick1_000523

30. Prestwick2_000523

31. Prestwick3_000523

32. Unii-de3d2pz3tt

33. Lopac0_000797

34. Bspbio_000505

35. Schembl187872

36. Spbio_002426

37. Bpbio1_000557

38. Chembl143324

39. Methionine-dl-sulfoximine

40. Chembl1627202

41. Butanoic Acid, 2-amino-4-(s-methylsufonimidoyl)-, (2s)-

42. Dtxsid30936181

43. Hms1569j07

44. Hms2096j07

45. Hms3262o16

46. Bcp10104

47. Hy-b1692

48. Tox21_500797

49. L-methionine-(r)-sulfoximine

50. Mfcd00063094

51. Methionine-dl-sulfoximine, L-

52. Akos015892783

53. (2s,sr)-methionine Sulfoximine

54. Ccg-204881

55. Db14103

56. Lp00797

57. Sdccgsbi-0050774.p002

58. Ncgc00094132-01

59. Ncgc00094132-02

60. Ncgc00094132-03

61. Ncgc00094132-04

62. Ncgc00094132-07

63. Ncgc00261482-01

64. As-40141

65. Ds-018180

66. Ab00513853

67. Cs-0013677

68. Eu-0100797

69. C03510

70. M 5379

71. A810076

72. Sr-01000075995

73. J-009648

74. Sr-01000075995-1

75. (2s)-2-amino-4-(s-methylsufonimidoyl)-butanoic Acid

76. Q27103738

77. (2s)-2-amino-4-((s(r))-s-methylsulfonimidoyl)butanoic Acid

78. L-methionine Sulfoximine, Certified Reference Material, Tracecert(r)

79. Butanoic Acid, 2-amino-4-((s(r))-s-methylsulfonimidoyl)-, (2s)-

80. L-methionine Sulfoximine, Pharmagrade, Manufactured Under Appropriate Gmp Controls For Pharma Or Biopharmaceutical Production.

81. Mso

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂N₂O₃S
Molecular Weight	180.23 g/mol
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	180.05686342 g/mol
Monoisotopic Mass	180.05686342 g/mol
Topological Polar Surface Area	113 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

15985-39-4

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About the Company

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. ...

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. came in to existence since 1st August 2002. It is a part of the well-known business group involved in activities like polyester fiber, polymers, pre-forms, and computer software among others. The company is catering to the needs of customers in the area of 'knowledge based R & D services' for the last 5 years, which include: Contract R & D, Custom Synthesis and Contract Manufacture In a very short period the company has established its name as a reliable partner in above area of activities and has joined hands with many prestigious companies in the field. The company has identified NUCLEOSIDES as a niche area and earned reputation as a supplier of various protected Nucleosides and a partner for Process research. The company is involved in business with well-known companies in various fields like pharmaceuticals, perfumes, agro chemicals, and fine and specialty chemicals. With two sites at its disposal, one already active at Khopoli near Mumbai and the other in the development stage at Chennai. It has already set up a cGMP Pilot Plant Facility where 10-15 Kg batch size is possible. It is going for US FDA approval in near future.

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