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CAS 144163-85-9
PharmaCompass
CAS 144163-85-9
Also known as: Tert-butyl ((2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate, [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic acid 1,1-dimethylethyl ester, Unii-0n59f56pq6, 0n59f56pq6, Ak-33286, (2s,3s,5s)-2-amino-3-hydroxy-5-(tert-butyloxycarbonylamino)-1,6-diphenylhexane
Molecular Formula
C23H32N2O3
Molecular Weight
384.52  g/mol
InChI Key
UKFHOTNATOJBKZ-ACRUOGEOSA-N
FDA UNII
0N59F56PQ6

1 2D Structure

CAS 144163-85-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
2.1.2 InChI
InChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)/t19-,20-,21-/m0/s1
2.1.3 InChI Key
UKFHOTNATOJBKZ-ACRUOGEOSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)O
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)N)O
2.2 Other Identifiers
2.2.1 UNII
0N59F56PQ6
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Tert-butyl ((2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate

2. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic Acid 1,1-dimethylethyl Ester

3. Unii-0n59f56pq6

4. 0n59f56pq6

5. Ak-33286

6. (2s,3s,5s)-2-amino-3-hydroxy-5-(tert-butyloxycarbonylamino)-1,6-diphenylhexane

7. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamic Acid 1,1-dimethyl Ethyl Ester

8. Carbamic Acid,[(1s,2s,4s)-4-amino-3-hydroxy-5-phenyl-1-phenylmethyl]pentyl-1,1-dimethylethyl Ester

9. Tert-butyl N-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

10. (2s,3s,5s)-2-amino-3-hydroxy-5-(tert-butyloxycarbonylamino)-1,6-diphenyl Hexane Succinic Acid

11. Schembl2059435

12. Ctk7g8934

13. Molport-005-941-577

14. Ukfhotnatojbkz-acruogeosa-n

15. Ks-00000pc6

16. Mfcd09833420

17. Zinc21982299

18. Akos015841346

19. Akos015896454

20. Ds-0823

21. Rtx-011225

22. Aj-79059

23. Br-33286

24. S029

25. Ab0018446

26. Ax8220361

27. Kb-259926

28. Ft-0655390

29. St24025767

30. St51053285

31. S-2373

32. A-88820

33. I06-1914

34. I14-14293

35. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino-

36. [2s,3s,5s]-2-amino-3-hydroxy-5-t-butyloxycarbonylamino-1,6-diphenylhexane

37. Tert-butyl (1s,3s,4s)-1-benzyl-3-hydroxy-5-phenyl-4-amino-pentylcarbamate

38. Tert-butyl (1s,3s,4s)-4-amino-1-benzyl-3-hydroxy-5-phenylpentylcarbamate

39. Tert-butyl(1s,3s,4s)-1-benzyl-3-hydroxy-5-phenyl-4-amino-pentylcarbamate

40. Tert-butyl(1s,3s,4s)-4-amino-1-benzyl-3-hydroxy-5-phenylpentylcarbamate

41. (1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-benzylpentyl]-carbamic Acidtert-butylester

42. (2s, 3s, 5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1,6-diphenylhexane

43. (2s,3s,5s)-2-amino-3-hydroxy-5(t)-butyloxycarbonylamino-1,6-diphenyl-hexanesuccinicacid

44. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1,6-diphenylhexane

45. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1.6-diphenylhexane

46. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino-1,6-diphenyl-hexane Succinic Acid

47. (2s,3s,5s)-2-amino-5-[n-(tert-butyloxycarbonyl)amino]-1,6-diphenyl-3-hydroxy Hexane

48. (2s,3s,5s)-5-(tert-butyloxycabonyll)amino-2-amino-3-hydroxy-1,6-diphenyhexane

49. (2s,3s,5s)-5-tert-butyloxycarbonylamino-2-amino-3-hydroxy -1,6-diphenylhexane

50. [(1s,3s,4s)-1-benzyl-3-hydroxy-4-amino-5-phenylpentyl]carbamic Acid Tert-butyl Ester

51. 5-tert-butyloxycarbonylamino-2-amino-3-hydroxy-1,6-diphenylhexane, (2s,3s,5s)-

52. Tert-butyl (2s,4s,5s)-n-(4-amino-1-benzyl-3-hydroxy-5-phenylpentyl)carbamate

53. [(1s, 3s, 4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic Acid 1,1-dimethylethyl Ester

54. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic Acid 1,1-dimethylethyl Ester, Aldrichcpr

55. Carbamic Acid, N-((1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl Ester

2.4 Create Date
2007-02-05
3 Chemical and Physical Properties
Molecular Weight 384.52 g/mol
Molecular Formula C23H32N2O3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass384.241 g/mol
Monoisotopic Mass384.241 g/mol
Topological Polar Surface Area84.6 A^2
Heavy Atom Count28
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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