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Also known as: Kyt0353, Kyt 0353, (2s)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid, (2s)-2-amino-3-(4-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy)-3,5-dichlorophenyl)propanoic acid, Refchem:164542, Jph203

Molecular Formula

C₂₃H₁₉Cl₂N₃O₄

Molecular Weight

472.3 g/mol

InChI Key

XNRZJPQTMQZBCE-SFHVURJKSA-N

FDA UNII

CEDO9QXYZK

1 2D Structure

Kyt-0353

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid

2.1.2 InChI

InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1

2.1.3 InChI Key

XNRZJPQTMQZBCE-SFHVURJKSA-N

2.2 Other Identifiers

2.2.1 UNII

CEDO9QXYZK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Kyt 0353

2. Kyt0353

2.3.2 Depositor-Supplied Synonyms

1. Kyt0353

2. Kyt 0353

3. (2s)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic Acid

4. (2s)-2-amino-3-(4-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy)-3,5-dichlorophenyl)propanoic Acid

5. Refchem:164542

6. Jph203

7. 1037592-40-7

8. Nanvuranlat

9. Jph-203

10. Jph203 Free Base

11. Cedo9qxyzk

12. Unii-cedo9qxyzk

13. (s)-2-amino-3-(4-((5-amino-2-phenylbenzo[d]oxazol-7-yl)methoxy)-3,5-dichlorophenyl)propanoic Acid

14. Jph 203

15. Mfcd30534398

16. Chembl4538666

17. L-tyrosine, O-((5-amino-2-phenyl-7-benzoxazolyl)methyl)-3,5-dichloro-

18. 1037592-40-7 (free Base)

19. (2s)-2-amino-3-(4-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy)-3,5-dichloro-phenyl)propanoic Acid

20. (2s)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichloro-phenyl]propanoic Acid

21. Vrw

22. Nanvuranlat [inn]

23. C23h19cl2n3o4

24. Gtpl9347

25. Orb1296219

26. O-[(5-amino-2-phenyl-7-benzoxazolyl)methyl]-3,5-dichloro-l-tyrosine

27. Schembl17360639

28. Schembl29369044

29. Glxc-10626

30. Ex-a2559

31. Jph 203;

32. L-tyrosine, O-[(5-amino-2-phenyl-7-benzoxazolyl)methyl]-3,5-dichloro-;l-tyrosine, O-[(5-amino-2-phenyl-7-benzoxazolyl)methyl]-3,5-dichloro-

33. Bdbm50532381

34. S8667

35. Akos032945064

36. Cs-6064

37. Ac-36140

38. Bs-14324

39. Da-64663

40. Jph203 Hydrochloride, >=98% (hplc)

41. Hy-100868

42. Compound-jp [us20160279103]

43. D71159

44. O-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methyl)-3,5- Dichloro-l-tyrosine

45. (s)-2-amino-3-(4-((5-amino-2-phenylbenzo[d]oxazol-7-yl)methoxy)-3,5-dichlorophenyl) Propanoic Acid

2.4 Create Date

2008-07-21

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₁₉Cl₂N₃O₄
Molecular Weight	472.3 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	125
Heavy Atom Count	32
Formal Charge	0
Complexity	626
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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