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Also known as: 144163-85-9, [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic acid 1,1-dimethylethyl ester, (2s,3s,5s)-2-amino-3-hydroxy-5-(tert-butyloxycarbonylamino)-1,6-diphenylhexane, Tert-butyl n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, 0n59f56pq6, A-88820
Molecular Formula
C23H32N2O3
Molecular Weight
384.5  g/mol
InChI Key
UKFHOTNATOJBKZ-ACRUOGEOSA-N
FDA UNII
0N59F56PQ6

CAS 144163-85-9
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. 144163-85-9

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

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

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

5. 0n59f56pq6

6. A-88820

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. (2s,4s,5s)-5-amino-2-(boc-amino)-4-hydroxy-1,6-diphenylhexane

10. 5-tert-butyloxycarbonylamino-2-amino-3-hydroxy-1,6-diphenylhexane, (2s,3s,5s)-

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

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

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

14. Unii-0n59f56pq6

15. Schembl2059435

16. Dtxsid10932247

17. Mfcd09833420

18. Zinc21982299

19. Akos015841346

20. Akos015896454

21. Ds-0823

22. Cs-0130712

23. A808183

24. [2s,3s,5s]-2-amino-3-hydroxy-5-t-butyloxycarbonylamino-1,6-diphenylhexane

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

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

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

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

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

30. (2s, 3s, 5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1,6-diphenylhexane

31. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1,6-diphenylhexane

32. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1.6-diphenylhexane

33. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino-1,6-diphenyl-hexane Succinic

34. (2s,3s,5s)-2-amino-5-[n-(tert-butyloxycarbonyl)amino]-1,6-diphenyl-3-hydroxy Hexane

35. [(1s,3s,4s)-1-benzyl-3-hydroxy-4-amino-5-phenylpentyl]carbamic Acid Tert-butyl Ester

36. Tert-butyl Hydrogen (5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbonimidate

37. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenyl-methyl)pentyl]carbamic Acid 1,1-dimethyl Ethyl Ester

38. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic Acid 1,1-dimethylethyl Ester, Aldrichcpr

2.4 Create Date
2007-02-05
3 Chemical and Physical Properties
Molecular Weight 384.5 g/mol
Molecular Formula C23H32N2O3
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass384.24129289 g/mol
Monoisotopic Mass384.24129289 g/mol
Topological Polar Surface Area84.6 Ų
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

BUILDING BLOCK

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