CAS 144163-85-9

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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

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 Formula	C₂₃H₃₂N₂O₃
Molecular Weight	384.5 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	384.24129289 g/mol
Monoisotopic Mass	384.24129289 g/mol
Topological Polar Surface Area	84.6 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	451
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1