CAS 160232-08-6

Chemistry, 1 End Use API, 32 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 160232-08-6, Tert-butyl [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate, Tert-butyl n-[(2s,3r)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate, Tert-butyl ((2s,3r)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate, Tert-butyl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Tert-butyl (2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamate

Molecular Formula

C₁₉H₃₂N₂O₃

Molecular Weight

336.5 g/mol

InChI Key

NVEPLQDORJSXRO-DLBZAZTESA-N

1 2D Structure

CAS 160232-08-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1

2.1.3 InChI Key

NVEPLQDORJSXRO-DLBZAZTESA-N

2.1.4 Canonical SMILES

CC(C)CNCC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O

2.1.5 Isomeric SMILES

CC(C)CNC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 160232-08-6

2. Tert-butyl [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

3. Tert-butyl N-[(2s,3r)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate

4. Tert-butyl ((2s,3r)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate

5. Tert-butyl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate

6. Tert-butyl (2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamate

7. (2r,3s)-3-(boc-amino)-1-(isobutylamino)-4-phenyl-2-butanol

8. Mfcd15144668

9. Tert-butyl [(2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamate

10. Ec 605-203-3

11. Schembl1104912

12. Amy4348

13. Dtxsid10432611

14. Zinc22053590

15. Akos015895860

16. Tert-butyl((2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

17. Cs-w006450

18. Ds-3963

19. Ac-28968

20. Carbamic Acid, N-[(1s,2r)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl Ester

21. B6183

22. J-009696

23. J-524379

24. T-butyl ((2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

25. Tert-butyl (1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propylcarbamate

26. Tert-butyl(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propylcarbamate

27. Tert-butyl[(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

28. (1s,2r)-(1-benzyl-2-hydroxy-3-isobutylamino-propyl)-carbamic Acid Tert-butyl Ester

29. (1s,2r)-tert-butyl N-[1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

30. [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamic Acid Tert-butyl Ester

31. Tert-butyl N-[(1s,2r)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)amino]propyl]carbamate

32. [(1s,2r)-3-[(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid Tert-butyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₂N₂O₃
Molecular Weight	336.5 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	336.24129289 g/mol
Monoisotopic Mass	336.24129289 g/mol
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1